Name: Name:1-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile
Brand: Angene
SKU: AG01B9W3
Rating: 90 (10 reviews)

1-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile

CAS No.:

1250607-76-1

Catalog Number:

AG01B9W3

Molecular Formula:

C9H5N5O2

Molecular Weight:

215.1683

Catalog Number:

AG01B9W3

Chemical Name:

1-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile

CAS Number:

1250607-76-1

Molecular Formula:

C9H5N5O2

Molecular Weight:

215.1683

MDL Number:

MFCD17241747

IUPAC Name:

1-(2-nitrophenyl)-1,2,4-triazole-3-carbonitrile

InChI:

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

InChI Key:

QQTZJCBURKBCIK-UHFFFAOYSA-N

SMILES:

N#Cc1ncn(n1)c1ccccc1[N+](=O)[O-]

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:

1.5