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1261978-52-2 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3',5-difluoro-
CAS No: 1261978-52-2 Catalog No: AG000SAY MDL No:MFCD18321471
Product Description
Catalog Number:
AG000SAY
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3',5-difluoro-
CAS Number:
1261978-52-2
Molecular Formula:
C14H8F2O4
Molecular Weight:
278.2077
MDL Number:
MFCD18321471
IUPAC Name:
4-(3-carboxy-5-fluorophenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C14H8F2O4/c15-10-4-8(3-9(5-10)13(17)18)7-1-2-11(14(19)20)12(16)6-7/h1-6H,(H,17,18)(H,19,20)
InChI Key:
IGQUFUDCEOBZLV-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Properties
Complexity:
387
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:
2.8
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