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833485-00-0 | Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-
CAS No: 833485-00-0 Catalog No: AG004W64 MDL No:
Product Description
Catalog Number:
AG004W64
Chemical Name:
Benzoic acid, 4-[[[2-(trifluoromethyl)phenyl]amino]methyl]-
CAS Number:
833485-00-0
Molecular Formula:
C15H12F3NO2
Molecular Weight:
295.2565
IUPAC Name:
4-[[2-(trifluoromethyl)anilino]methyl]benzoic acid
InChI:
InChI=1S/C15H12F3NO2/c16-15(17,18)12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)14(20)21/h1-8,19H,9H2,(H,20,21)
InChI Key:
DRZZJUJLIWAHCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CNc1ccccc1C(F)(F)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.261g/mol
Monoisotopic Mass:
295.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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