200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 31493-66-0
31493-66-0 | 1-Methyl-4-nitro-1H-benzo[d]imidazole
CAS No: 31493-66-0 Catalog No: AG003EI4 MDL No:MFCD02181146
Product Description
Catalog Number:
AG003EI4
Chemical Name:
1-Methyl-4-nitro-1H-benzo[d]imidazole
CAS Number:
31493-66-0
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD02181146
IUPAC Name:
1-methyl-4-nitrobenzimidazole
InChI:
InChI=1S/C8H7N3O2/c1-10-5-9-8-6(10)3-2-4-7(8)11(12)13/h2-5H,1H3
InChI Key:
RFLMKPLHWAENSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ncn2C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.