Home Carboxys Methyl 5-nitro-1h-benzo[d]imidazole-2-carboxylate

Methyl 5-nitro-1h-benzo[d]imidazole-2-carboxylate

CAS No.:
93521-65-4
Catalog Number:
AG003RY2
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$287
- +
5g
95%
1 week
United States
$784
- +
Product Description
Catalog Number:
AG003RY2
Chemical Name:
Methyl 5-nitro-1h-benzo[d]imidazole-2-carboxylate
CAS Number:
93521-65-4
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD22683322
IUPAC Name:
methyl 6-nitro-1H-benzimidazole-2-carboxylate
InChI:
InChI=1S/C9H7N3O4/c1-16-9(13)8-10-6-3-2-5(12(14)15)4-7(6)11-8/h2-4H,1H3,(H,10,11)
InChI Key:
YXDYHFYQRLFAFN-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties