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1257665-01-2 | [1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-hydroxy-
CAS No: 1257665-01-2 Catalog No: AG000OOB MDL No:MFCD18087756
Product Description
Catalog Number:
AG000OOB
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-hydroxy-
CAS Number:
1257665-01-2
Molecular Formula:
C13H9FO3
Molecular Weight:
232.2072
MDL Number:
MFCD18087756
IUPAC Name:
3-fluoro-5-(4-hydroxyphenyl)benzoic acid
InChI:
InChI=1S/C13H9FO3/c14-11-6-9(5-10(7-11)13(16)17)8-1-3-12(15)4-2-8/h1-7,15H,(H,16,17)
InChI Key:
AHDOCVLIQKICRL-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)c1ccc(cc1)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:
232.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.21g/mol
Monoisotopic Mass:
232.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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