Home Nitros 1-Methyl-7-nitro-1,3-benzodiazole

1-Methyl-7-nitro-1,3-benzodiazole

CAS No.:
57155-23-4
Catalog Number:
AG00EIFL
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG00EIFL
Chemical Name:
1-Methyl-7-nitro-1,3-benzodiazole
CAS Number:
57155-23-4
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD18807515
IUPAC Name:
1-methyl-7-nitrobenzimidazole
InChI:
InChI=1S/C8H7N3O2/c1-10-5-9-6-3-2-4-7(8(6)10)11(12)13/h2-5H,1H3
InChI Key:
KEABNFLSDJZPEP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1n(C)cn2
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  
Properties