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1261940-97-9 | [1,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-4'-methyl-
CAS No: 1261940-97-9 Catalog No: AG000S72 MDL No:MFCD18312596
Product Description
Catalog Number:
AG000S72
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-4'-methyl-
CAS Number:
1261940-97-9
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD18312596
IUPAC Name:
2-(3-fluoro-4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
GQJRYTXTCLCBMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccc(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:
3.4
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