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1261625-13-1 | [1,1'-Biphenyl]-4-carboxylic acid, 2,2',3'-trifluoro-
CAS No: 1261625-13-1 Catalog No: AG000RW2 MDL No:MFCD18320012
Product Description
Catalog Number:
AG000RW2
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2,2',3'-trifluoro-
CAS Number:
1261625-13-1
Molecular Formula:
C13H7F3O2
Molecular Weight:
252.1887
MDL Number:
MFCD18320012
IUPAC Name:
4-(2,3-difluorophenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C13H7F3O2/c14-10-3-1-2-9(12(10)16)8-5-4-7(13(17)18)6-11(8)15/h1-6H,(H,17,18)
InChI Key:
BKXIDFKKKOGSDA-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1c1cccc(c1F)F)C(=O)O
Properties
Complexity:
311
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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