Name: Name:3-fluoro-4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile
Brand: Angene
SKU: AG01A98T
Rating: 90 (10 reviews)

3-fluoro-4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile

CAS No.:

1016753-56-2

Catalog Number:

AG01A98T

Molecular Formula:

C10H7FN4

Molecular Weight:

202.1878

Catalog Number:

AG01A98T

Chemical Name:

3-fluoro-4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile

CAS Number:

1016753-56-2

Molecular Formula:

C10H7FN4

Molecular Weight:

202.1878

MDL Number:

MFCD09929146

IUPAC Name:

3-fluoro-4-(1,2,4-triazol-1-ylmethyl)benzonitrile

InChI:

InChI=1S/C10H7FN4/c11-10-3-8(4-12)1-2-9(10)5-15-7-13-6-14-15/h1-3,6-7H,5H2

InChI Key:

IWTQLSOPBOQQGY-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)F)Cn1cncn1

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.192g/mol

Monoisotopic Mass:

202.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4