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27696-34-0 | Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-
CAS No: 27696-34-0 Catalog No: AG002UHQ MDL No:
Product Description
Catalog Number:
AG002UHQ
Chemical Name:
Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-
CAS Number:
27696-34-0
Molecular Formula:
C15H12F3NO2
Molecular Weight:
295.2565
IUPAC Name:
2-[N-methyl-3-(trifluoromethyl)anilino]benzoic acid
InChI:
InChI=1S/C15H12F3NO2/c1-19(13-8-3-2-7-12(13)14(20)21)11-6-4-5-10(9-11)15(16,17)18/h2-9H,1H3,(H,20,21)
InChI Key:
BLODVPQNWORVJM-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1C(=O)O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
372
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:
1
Isotope Atom Count:
0
Molecular Weight:
295.261g/mol
Monoisotopic Mass:
295.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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