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1214343-03-9 | [1,1'-Biphenyl]-3-carboxylic acid, 5-(trifluoromethyl)-
CAS No: 1214343-03-9 Catalog No: AG0014UN MDL No:MFCD14702295
Product Description
Catalog Number:
AG0014UN
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-(trifluoromethyl)-
CAS Number:
1214343-03-9
Molecular Formula:
C14H9F3O2
Molecular Weight:
266.2153
MDL Number:
MFCD14702295
IUPAC Name:
3-phenyl-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H9F3O2/c15-14(16,17)12-7-10(6-11(8-12)13(18)19)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChI Key:
ZRVJYLZDGQAZQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)c1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.219g/mol
Monoisotopic Mass:
266.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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