Name: Name:Benzonitrile, 4-amino-3-methyl-2-(trifluoromethyl)- (9CI)
Brand: Angene
SKU: AG00ECWM
Rating: 90 (10 reviews)

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

CAS No.:

573764-86-0

Catalog Number:

AG00ECWM

Molecular Formula:

C9H7F3N2

Molecular Weight:

200.1605

Catalog Number:

AG00ECWM

Chemical Name:

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

CAS Number:

573764-86-0

Molecular Formula:

C9H7F3N2

Molecular Weight:

200.1605

MDL Number:

MFCD09835408

IUPAC Name:

4-amino-3-methyl-2-(trifluoromethyl)benzonitrile

InChI:

InChI=1S/C9H7F3N2/c1-5-7(14)3-2-6(4-13)8(5)9(10,11)12/h2-3H,14H2,1H3

InChI Key:

FGBKSQXFNVUCEN-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1C(F)(F)F)C)N

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.164g/mol

Monoisotopic Mass:

200.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2