Name: Name:3-nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile
Brand: Angene
SKU: AG01ALPW
Rating: 90 (10 reviews)

3-nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile

CAS No.:

19005-66-4

Catalog Number:

AG01ALPW

Molecular Formula:

C9H5N5O2

Molecular Weight:

215.1683

Catalog Number:

AG01ALPW

Chemical Name:

3-nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile

CAS Number:

19005-66-4

Molecular Formula:

C9H5N5O2

Molecular Weight:

215.1683

MDL Number:

MFCD19011714

IUPAC Name:

3-nitro-4-(1,2,4-triazol-1-yl)benzonitrile

InChI:

InChI=1S/C9H5N5O2/c10-4-7-1-2-8(9(3-7)14(15)16)13-6-11-5-12-13/h1-3,5-6H

InChI Key:

ZPWZGQAOSBAPRD-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)[N+](=O)[O-])n1cncn1

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.172g/mol

Monoisotopic Mass:

215.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2