Name: Name:3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile
Brand: Angene
SKU: AG003I13
Rating: 90 (10 reviews)

3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile

CAS No.:

89128-08-5

Catalog Number:

AG003I13

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

Catalog Number:

AG003I13

Chemical Name:

3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile

CAS Number:

89128-08-5

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

MDL Number:

MFCD00134458

IUPAC Name:

3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile

InChI:

InChI=1S/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H3

InChI Key:

DXHSGLFIHQQUIN-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cn(c(n1)C)CCC#N

NSC Number:

265259

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.167g/mol

Monoisotopic Mass:

180.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2