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131323-10-9 | Benzeneacetic acid, α,α-difluoro-4-methyl-
CAS No: 131323-10-9 Catalog No: AG000VXW MDL No:MFCD11007728
Product Description
Catalog Number:
AG000VXW
Chemical Name:
Benzeneacetic acid, α,α-difluoro-4-methyl-
CAS Number:
131323-10-9
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD11007728
IUPAC Name:
2,2-difluoro-2-(4-methylphenyl)acetic acid
InChI:
InChI=1S/C9H8F2O2/c1-6-2-4-7(5-3-6)9(10,11)8(12)13/h2-5H,1H3,(H,12,13)
InChI Key:
MFPQENPQBLFBEK-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)C)(F)F
Properties
Complexity:
196
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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