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52950-19-3 | (S)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
CAS No: 52950-19-3 Catalog No: AG003CGJ MDL No:MFCD00798437
Product Description
Catalog Number:
AG003CGJ
Chemical Name:
(S)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
CAS Number:
52950-19-3
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00798437
IUPAC Name:
(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H7ClO3/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:
RWOLDZZTBNYTMS-ZETCQYMHSA-N
SMILES:
OC(=O)[C@H](c1ccccc1Cl)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:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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