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1261995-96-3 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-chloro-3-hydroxy-
CAS No: 1261995-96-3 Catalog No: AG000SBC MDL No:MFCD18319925
Product Description
Catalog Number:
AG000SBC
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-chloro-3-hydroxy-
CAS Number:
1261995-96-3
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
MDL Number:
MFCD18319925
IUPAC Name:
4-(4-chlorophenyl)-2-hydroxybenzoic acid
InChI:
InChI=1S/C13H9ClO3/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7,15H,(H,16,17)
InChI Key:
WDOOIZJTFGDHFT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc(c(c1)O)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.662g/mol
Monoisotopic Mass:
248.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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