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1261914-97-9 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-hydroxy-
CAS No: 1261914-97-9 Catalog No: AG000S67 MDL No:MFCD18319061
Product Description
Catalog Number:
AG000S67
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-hydroxy-
CAS Number:
1261914-97-9
Molecular Formula:
C13H9FO3
Molecular Weight:
232.2072
MDL Number:
MFCD18319061
IUPAC Name:
3-fluoro-4-(4-hydroxyphenyl)benzoic acid
InChI:
InChI=1S/C13H9FO3/c14-12-7-9(13(16)17)3-6-11(12)8-1-4-10(15)5-2-8/h1-7,15H,(H,16,17)
InChI Key:
CDPWKXUXEHMAHD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ccc(cc1F)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:
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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