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1000547-15-8 | BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-
CAS No: 1000547-15-8 Catalog No: AG0000PF MDL No:MFCD09925304
Product Description
Catalog Number:
AG0000PF
Chemical Name:
BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-
CAS Number:
1000547-15-8
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD09925304
IUPAC Name:
2-[3-(difluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F2O2/c10-9(11)7-3-1-2-6(4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key:
KDYGLVQGRMDQBI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)C(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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