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CAS 1006376-62-0

Chemistry, 1 End Use API, 73 Related Intermediates

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Also known as: 1006376-62-0, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane carboxamide, 1006614-51-2, Rel-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide, Schembl2397845

Molecular Formula

C₁₀H₉F₂NO

Molecular Weight

197.18 g/mol

InChI Key

PYEJQVYISBUGDU-NKWVEPMBSA-N

1 2D Structure

CAS 1006376-62-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

2.1.2 InChI

InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1

2.1.3 InChI Key

PYEJQVYISBUGDU-NKWVEPMBSA-N

2.1.4 Canonical SMILES

C1C(C1C(=O)N)C2=CC(=C(C=C2)F)F

2.1.5 Isomeric SMILES

C1[C@H]([C@@H]1C(=O)N)C2=CC(=C(C=C2)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1006376-62-0

2. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

3. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane Carboxamide

4. 1006614-51-2

5. Rel-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

6. Schembl2397845

7. Amy3282

8. Dtxsid30657804

9. Mfcd22380631

10. Ac-32549

11. Cs-15280

12. Cs-0009935

13. I11942

2.3 Create Date

2009-09-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉F₂NO
Molecular Weight	197.18 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.1
Heavy Atom Count	14
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4,6-dichloropyrimidine

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CAS Number

1193-21-1

End Use API

Ticagrelor

About the Company

Mulei (Wuhan) New Material Technology is a scientific and technological company integrating product resea...

Mulei (Wuhan) New Material Technology is a scientific and technological company integrating product research and development, manufacturing and trading of chemical intermediates, specialized in organic intermediates, pharmaceutical intermediates, chemical solvents and agrochemical products. We produce and provide phenacetin powder, fluffy powder phenacetin, phenacetin crystal, Alpha Bromovalerophenone, Valerophenone, Watermelon ketone and cocoylchloride, etc.

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