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1261906-07-3 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-chloro-5-fluoro-
CAS No: 1261906-07-3 Catalog No: AG000S5H MDL No:MFCD18321481
Product Description
Catalog Number:
AG000S5H
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-chloro-5-fluoro-
CAS Number:
1261906-07-3
Molecular Formula:
C14H8ClFO4
Molecular Weight:
294.6623
MDL Number:
MFCD18321481
IUPAC Name:
4-(3-carboxy-5-fluorophenyl)-2-chlorobenzoic acid
InChI:
InChI=1S/C14H8ClFO4/c15-12-6-7(1-2-11(12)14(19)20)8-3-9(13(17)18)5-10(16)4-8/h1-6H,(H,17,18)(H,19,20)
InChI Key:
ZFXHNLDPBUCFRO-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)c1ccc(c(c1)Cl)C(=O)O)C(=O)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.662g/mol
Monoisotopic Mass:
294.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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