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132741-29-8 | Benzeneacetic acid, 3,4-difluoro-α-hydroxy-
CAS No: 132741-29-8 Catalog No: AG00113U MDL No:MFCD000061299
Product Description
Catalog Number:
AG00113U
Chemical Name:
Benzeneacetic acid, 3,4-difluoro-α-hydroxy-
CAS Number:
132741-29-8
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD000061299
IUPAC Name:
2-(3,4-difluorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChI Key:
BKHXODARAOCNDJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(c(c1)F)F)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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