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885964-56-7 | 3'-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid
CAS No: 885964-56-7 Catalog No: AG004CVO MDL No:MFCD06858728
Product Description
Catalog Number:
AG004CVO
Chemical Name:
3'-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid
CAS Number:
885964-56-7
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD06858728
IUPAC Name:
3-(3-fluoro-4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-5-6-11(8-13(9)15)10-3-2-4-12(7-10)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
VEWZKMNALHTVOT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(c(c1)F)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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