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139229-58-6 | Cyclopropanecarboxylic acid, 1-(2,6-difluorophenyl)-
CAS No: 139229-58-6 Catalog No: AG001AJO MDL No:MFCD11041476
Product Description
Catalog Number:
AG001AJO
Chemical Name:
Cyclopropanecarboxylic acid, 1-(2,6-difluorophenyl)-
CAS Number:
139229-58-6
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
MDL Number:
MFCD11041476
IUPAC Name:
1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C10H8F2O2/c11-6-2-1-3-7(12)8(6)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14)
InChI Key:
QRGUMJCPHNBRHI-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1c(F)cccc1F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.169g/mol
Monoisotopic Mass:
198.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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