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1184212-56-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-4'-methyl-
CAS No: 1184212-56-3 Catalog No: AG000IT5 MDL No:MFCD12859182
Product Description
Catalog Number:
AG000IT5
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-4'-methyl-
CAS Number:
1184212-56-3
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD12859182
IUPAC Name:
2-fluoro-4-(4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8H,1H3,(H,16,17)
InChI Key:
XYNYMRQCAUBBRV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
271
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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