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1261964-10-6 | [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3'-fluoro-2-methyl-
CAS No: 1261964-10-6 Catalog No: AG000S9G MDL No:MFCD18321491
Product Description
Catalog Number:
AG000S9G
Chemical Name:
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3'-fluoro-2-methyl-
CAS Number:
1261964-10-6
Molecular Formula:
C15H11FO4
Molecular Weight:
274.2438
MDL Number:
MFCD18321491
IUPAC Name:
4-(4-carboxy-2-methylphenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO4/c1-8-6-10(14(17)18)3-4-11(8)9-2-5-12(15(19)20)13(16)7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChI Key:
PWFBHNCNUKWHQJ-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1c1ccc(c(c1)F)C(=O)O)C(=O)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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