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Also known as: 1034305-17-3, 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene, 2-(5-bromo-2-fluorobenzyl)benzothiophene, Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-, 2-(5-bromo-2-fluorobenzyl)-1-benzothiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene
Molecular Formula
C15H10BrFS
Molecular Weight
321.2  g/mol
InChI Key
IKGTVOQAJKYBGO-UHFFFAOYSA-N

CAS 1034305-17-3
1 2D Structure

CAS 1034305-17-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
2.1.2 InChI
InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
2.1.3 InChI Key
IKGTVOQAJKYBGO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)Br)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1034305-17-3

2. 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene

3. 2-(5-bromo-2-fluorobenzyl)benzothiophene

4. Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-

5. 2-(5-bromo-2-fluorobenzyl)-1-benzothiophene

6. 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene

7. Mfcd28144826

8. Benzo[b]thiophene,2-((5-bromo-2-fluorophenyl)methyl)-

9. Benzo[b]thiophene,2-[(5-bromo-2-fluorophenyl)methyl]-

10. Schembl155503

11. Amy16552

12. Bcp12329

13. Cs-m2884

14. Akos024464817

15. Zinc113222386

16. Ds-8332

17. Ac-29055

18. Sy116155

19. 1-(benzo[b]thiophen-2-ylmethyl)-5-bromo-2-fluorobenzene

20. Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-; 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 321.2 g/mol
Molecular Formula C15H10BrFS
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass319.96706 g/mol
Monoisotopic Mass319.96706 g/mol
Topological Polar Surface Area28.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Medlab Asia & Asia Health
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2-[(5-bromo-2-fluorophenyl)Methyl]-Benzo[b]thiophe...

CAS Number : 1034305-17-3

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About the Company : Beijing Cooperate Pharmaceutical Co.,Ltd is a high-tech company specializing in pharmaceutical and advanced material, involving API,pharmaceutical intermediates and petrochemical additi...

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Medlab Asia & Asia Health
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Medlab Asia & Asia Health
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2-(5-Bromo-2-fluorobenzyl) benzo[b]thiophene

CAS Number : -1034305-17-3

End Use API :

About the Company : Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for th...

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