200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 40648-96-2
40648-96-2 | 1-Methyl-4-nitro-1H-imidazole-5-carbonitrile
CAS No: 40648-96-2 Catalog No: AG00D6JR MDL No:MFCD00707882
Product Description
Catalog Number:
AG00D6JR
Chemical Name:
1-Methyl-4-nitro-1H-imidazole-5-carbonitrile
CAS Number:
40648-96-2
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
MDL Number:
MFCD00707882
IUPAC Name:
3-methyl-5-nitroimidazole-4-carbonitrile
InChI:
InChI=1S/C5H4N4O2/c1-8-3-7-5(9(10)11)4(8)2-6/h3H,1H3
InChI Key:
LXXDMPXVEZYDCI-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)cnc1[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.