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207853-61-0 | Benzeneacetic acid, 2,5-difluoro-α-hydroxy-
CAS No: 207853-61-0 Catalog No: AG002JC1 MDL No:MFCD00061297
Product Description
Catalog Number:
AG002JC1
Chemical Name:
Benzeneacetic acid, 2,5-difluoro-α-hydroxy-
CAS Number:
207853-61-0
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD00061297
IUPAC Name:
2-(2,5-difluorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H6F2O3/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChI Key:
PATKDMCCMCSATF-UHFFFAOYSA-N
SMILES:
OC(c1cc(F)ccc1F)C(=O)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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