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137045-30-8 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-
CAS No: 137045-30-8 Catalog No: AG0012RP MDL No:
Product Description
Catalog Number:
AG0012RP
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-
CAS Number:
137045-30-8
Molecular Formula:
C13H9FO2
Molecular Weight:
216.2078
IUPAC Name:
3-fluoro-4-phenylbenzoic acid
InChI:
InChI=1S/C13H9FO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
PFKITESTTSWHMP-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1c1ccccc1)C(=O)O
UNII:
Z6XXN3O38O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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