Name: Name:2-[(prop-2-en-1-yl)amino]-5-(trifluoromethyl)benzonitrile
Brand: Angene
SKU: AG01AKH3
Rating: 90 (10 reviews)

2-[(prop-2-en-1-yl)amino]-5-(trifluoromethyl)benzonitrile

CAS No.:

1094368-50-9

Catalog Number:

AG01AKH3

Molecular Formula:

C11H9F3N2

Molecular Weight:

226.1978

Catalog Number:

AG01AKH3

Chemical Name:

2-[(prop-2-en-1-yl)amino]-5-(trifluoromethyl)benzonitrile

CAS Number:

1094368-50-9

Molecular Formula:

C11H9F3N2

Molecular Weight:

226.1978

MDL Number:

MFCD11206706

IUPAC Name:

2-(prop-2-enylamino)-5-(trifluoromethyl)benzonitrile

InChI:

InChI=1S/C11H9F3N2/c1-2-5-16-10-4-3-9(11(12,13)14)6-8(10)7-15/h2-4,6,16H,1,5H2

InChI Key:

IJIWVDKFMNFWON-UHFFFAOYSA-N

SMILES:

C=CCNc1ccc(cc1C#N)C(F)(F)F

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.202g/mol

Monoisotopic Mass:

226.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7