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175134-34-6 | Benzeneacetic acid, 2-fluoro-α-hydroxy-, (S)- (9CI)
CAS No: 175134-34-6 Catalog No: AG002057 MDL No:
Product Description
Catalog Number:
AG002057
Chemical Name:
Benzeneacetic acid, 2-fluoro-α-hydroxy-, (S)- (9CI)
CAS Number:
175134-34-6
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
IUPAC Name:
(2S)-2-(2-fluorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H7FO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChI Key:
WWSRHIZZWWDONI-ZETCQYMHSA-N
SMILES:
OC(=O)[C@H](c1ccccc1F)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.139g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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