Name: Name:2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzonitrile
Brand: Angene
SKU: AG01AKT3
Rating: 90 (10 reviews)

2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzonitrile

CAS No.:

1094368-55-4

Catalog Number:

AG01AKT3

Molecular Formula:

C10H5F3N4

Molecular Weight:

238.1687

Catalog Number:

AG01AKT3

Chemical Name:

2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzonitrile

CAS Number:

1094368-55-4

Molecular Formula:

C10H5F3N4

Molecular Weight:

238.1687

MDL Number:

MFCD11206711

IUPAC Name:

2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzonitrile

InChI:

InChI=1S/C10H5F3N4/c11-10(12,13)8-1-2-9(7(3-8)4-14)17-6-15-5-16-17/h1-3,5-6H

InChI Key:

ZHVMWTCBTXFGGR-UHFFFAOYSA-N

SMILES:

N#Cc1cc(ccc1n1cncn1)C(F)(F)F

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.173g/mol

Monoisotopic Mass:

238.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3