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80814-74-0 | Benzenamine, N-(3-methylphenyl)-3-(trifluoromethyl)-
CAS No: 80814-74-0 Catalog No: AG005IP9 MDL No:
Product Description
Catalog Number:
AG005IP9
Chemical Name:
Benzenamine, N-(3-methylphenyl)-3-(trifluoromethyl)-
CAS Number:
80814-74-0
Molecular Formula:
C14H12F3N
Molecular Weight:
251.2470
IUPAC Name:
3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
InChI:
InChI=1S/C14H12F3N/c1-10-4-2-6-12(8-10)18-13-7-3-5-11(9-13)14(15,16)17/h2-9,18H,1H3
InChI Key:
VVWZPYJPQAPFFV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.252g/mol
Monoisotopic Mass:
251.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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