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199528-28-4 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-(trifluoromethyl)-
CAS No: 199528-28-4 Catalog No: AG002C67 MDL No:MFCD03424604
Product Description
Catalog Number:
AG002C67
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-(trifluoromethyl)-
CAS Number:
199528-28-4
Molecular Formula:
C14H9F3O2
Molecular Weight:
266.2153
MDL Number:
MFCD03424604
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H9F3O2/c15-14(16,17)12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)
InChI Key:
BJKGBAVGLRYCTK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
319
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:
4.6
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