1H-Benzimidazole-2-carboxylic acid, 5-nitro-, methyl ester


Chemical Name: 1H-Benzimidazole-2-carboxylic acid, 5-nitro-, methyl ester
CAS Number: 93521-65-4
Product Number: AG003RY2(AGN-PC-0ONNA1)
Synonyms:
MDL No: MFCD22683322
Molecular Formula: C9H7N3O4
Molecular Weight: 221.1696

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
221.172g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
221.044g/mol
Monoisotopic Mass:
221.044g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
304
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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