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10597-52-1 | 7-Nitro-1H-benzo[d]imidazole
CAS No: 10597-52-1 Catalog No: AG007W8J MDL No:MFCD00220143
Product Description
Catalog Number:
AG007W8J
Chemical Name:
7-Nitro-1H-benzo[d]imidazole
CAS Number:
10597-52-1
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD00220143
IUPAC Name:
4-nitro-1H-benzimidazole
InChI:
InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-7(6)9-4-8-5/h1-4H,(H,8,9)
InChI Key:
NEJMFSBXFBFELK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1nc[nH]2
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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