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1178458-04-2 | 2'-Fluoro-5'-methyl-[1,1'-biphenyl]-3-carboxylic acid
CAS No: 1178458-04-2 Catalog No: AG003HAB MDL No:MFCD12859196
Product Description
Catalog Number:
AG003HAB
Chemical Name:
2'-Fluoro-5'-methyl-[1,1'-biphenyl]-3-carboxylic acid
CAS Number:
1178458-04-2
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD12859196
IUPAC Name:
3-(2-fluoro-5-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-5-6-13(15)12(7-9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
BAXXLECALKOFNA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)c1cccc(c1)C(=O)O)F
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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