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1215205-82-5 | [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4'-difluoro-
CAS No: 1215205-82-5 Catalog No: AG00155D MDL No:MFCD13195682
Product Description
Catalog Number:
AG00155D
Chemical Name:
[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4'-difluoro-
CAS Number:
1215205-82-5
Molecular Formula:
C14H8F2O4
Molecular Weight:
278.2077
MDL Number:
MFCD13195682
IUPAC Name:
2-(2-carboxy-4-fluorophenyl)-5-fluorobenzoic acid
InChI:
InChI=1S/C14H8F2O4/c15-7-1-3-9(11(5-7)13(17)18)10-4-2-8(16)6-12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
JSSMUAXMMGJSIY-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)c1ccc(cc1C(=O)O)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.039g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.211g/mol
Monoisotopic Mass:
278.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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