Home Nitros 7-Chloro-6-nitro-1H-benzimidazole

7-Chloro-6-nitro-1H-benzimidazole

CAS No.:
1360891-62-8
Catalog Number:
AG009VVZ
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
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Product Description
Catalog Number:
AG009VVZ
Chemical Name:
7-Chloro-6-nitro-1H-benzimidazole
CAS Number:
1360891-62-8
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD22558128
IUPAC Name:
4-chloro-5-nitro-1H-benzimidazole
InChI:
InChI=1S/C7H4ClN3O2/c8-6-5(11(12)13)2-1-4-7(6)10-3-9-4/h1-3H,(H,9,10)
InChI Key:
IJZUCIHBALRZOK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1Cl)nc[nH]2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties