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Also known as: 1231930-33-8, 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole, 6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazole, 6-bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole, Mfcd16660227, 6-bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzoimidazole
Molecular Formula
C11H12BrFN2
Molecular Weight
271.13  g/mol
InChI Key
SJQZRZLUEGCXFN-UHFFFAOYSA-N

CAS 1231930-33-8
1 2D Structure

CAS 1231930-33-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
2.1.2 InChI
InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
2.1.3 InChI Key
SJQZRZLUEGCXFN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1231930-33-8

2. 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole

3. 6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazole

4. 6-bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole

5. Mfcd16660227

6. 6-bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzoimidazole

7. Schembl2490112

8. Amy3372

9. Dtxsid90719275

10. Bcp14302

11. Cs-m2089

12. Zinc72482083

13. Akos015920206

14. Sb15065

15. Ac-30667

16. As-19510

17. Sy110852

18. Db-107989

19. A1-04248

20. 6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazole

21. 1h-benzimidazole, 6-bromo-4-fluoro-2-methyl-1-(1-methylethyl)-

22. 1h-benzimidazole,6-bromo-4-fluoro-2-methyl-1-(1-methylethyl)-

2.3 Create Date
2012-05-30
3 Chemical and Physical Properties
Molecular Weight 271.13 g/mol
Molecular Formula C11H12BrFN2
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass270.01679 g/mol
Monoisotopic Mass270.01679 g/mol
Topological Polar Surface Area17.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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