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1006376-61-9 | Cyclopropanecarboxylic acid, 2-(3,4-difluorophenyl)-, ethyl ester, (1R,2R)-
CAS No: 1006376-61-9 Catalog No: AG0002J2 MDL No:MFCD22419930
Product Description
Catalog Number:
AG0002J2
Chemical Name:
Cyclopropanecarboxylic acid, 2-(3,4-difluorophenyl)-, ethyl ester, (1R,2R)-
CAS Number:
1006376-61-9
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
MDL Number:
MFCD22419930
IUPAC Name:
ethyl (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C12H12F2O2/c1-2-16-12(15)9-6-8(9)7-3-4-10(13)11(14)5-7/h3-5,8-9H,2,6H2,1H3/t8-,9+/m0/s1
InChI Key:
WKJJNMWERMSARF-DTWKUNHWSA-N
SMILES:
CCOC(=O)[C@@H]1C[C@H]1c1ccc(c(c1)F)F
EC Number:
919-127-6
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.223g/mol
Monoisotopic Mass:
226.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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