Name: Name:2-(1H-1,3-benzodiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Brand: Angene
SKU: AG01C462
Rating: 90 (10 reviews)

2-(1H-1,3-benzodiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

CAS No.:

352562-11-9

Catalog Number:

AG01C462

Molecular Formula:

C17H10F3N3

Molecular Weight:

313.2766

Catalog Number:

AG01C462

Chemical Name:

2-(1H-1,3-benzodiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

CAS Number:

352562-11-9

Molecular Formula:

C17H10F3N3

Molecular Weight:

313.2766

MDL Number:

MFCD00846723

IUPAC Name:

2-(1H-benzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

InChI:

InChI=1S/C17H10F3N3/c18-17(19,20)13-5-3-4-11(9-13)8-12(10-21)16-22-14-6-1-2-7-15(14)23-16/h1-9H,(H,22,23)

InChI Key:

TZAGFQVJOAIKPP-UHFFFAOYSA-N

SMILES:

N#CC(=Cc1cccc(c1)C(F)(F)F)c1nc2c([nH]1)cccc2

Complexity:

505

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.283g/mol

Monoisotopic Mass:

313.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2