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2094-03-3 | [1,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-
CAS No: 2094-03-3 Catalog No: AG002K7V MDL No:MFCD03426488
Product Description
Catalog Number:
AG002K7V
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-
CAS Number:
2094-03-3
Molecular Formula:
C13H9FO2
Molecular Weight:
216.2078
MDL Number:
MFCD03426488
IUPAC Name:
2-(3-fluorophenyl)benzoic acid
InChI:
InChI=1S/C13H9FO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)
InChI Key:
GEZNPQHOTCPFEL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccccc1C(=O)O
Properties
Complexity:
254
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
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