Benzonitrile, 4-amino-3-methyl-2-(trifluoromethyl)- (9CI)


Chemical Name: Benzonitrile, 4-amino-3-methyl-2-(trifluoromethyl)- (9CI)
CAS Number: 573764-86-0
Product Number: AG00ECWM(AGN-00ECR2)
Synonyms:
MDL No:
Molecular Formula: C9H7F3N2
Molecular Weight: 200.1605

Identification/Properties


Computed Properties
Molecular Weight:
200.164g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
200.056g/mol
Monoisotopic Mass:
200.056g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
253
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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