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1262006-03-0 | [1,1'-Biphenyl]-4-carboxylic acid, 2,3',5'-trifluoro-
CAS No: 1262006-03-0 Catalog No: AG000SBZ MDL No:MFCD16509404
Product Description
Catalog Number:
AG000SBZ
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2,3',5'-trifluoro-
CAS Number:
1262006-03-0
Molecular Formula:
C13H7F3O2
Molecular Weight:
252.1887
MDL Number:
MFCD16509404
IUPAC Name:
4-(3,5-difluorophenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C13H7F3O2/c14-9-3-8(4-10(15)6-9)11-2-1-7(13(17)18)5-12(11)16/h1-6H,(H,17,18)
InChI Key:
YVTQKWMENNEUHO-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)c1ccc(cc1F)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.192g/mol
Monoisotopic Mass:
252.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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