| CAS Number | 1092698-81-1 |
| Catalog Number | AG00HBEW(AGN-PC-0WO6PR) |
| Chemical Name | 2-(Chloromethyl)-6-nitro-1h-benzimidazole, HCl |
| IUPAC Name | 2-(chloromethyl)-6-nitro-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C8H6ClN3O2.ClH/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8;/h1-3H,4H2,(H,10,11);1H |
| InChI Key | GYVIDFGAPHVFSL-UHFFFAOYSA-N |
| MDL Number | MFCD08445314 |
| Molecular Formula | C8H7Cl2N3O2 |
| Molecular Weight | 248.0661 |
| SMILES | Cl.[O-][N+](C1=CC2=C(N=C(N2)CCl)C=C1)=O |
| Synonyms | 1092698-81-1,
2-(chloromethyl)-6-nitro-1H-benzimidazole hydrochloride,
2-(chloromethyl)-6-nitro-1H-1,3-benzodiazole hydrochloride,
2-(Chloromethyl)-6-nitro-1H-benzo[d]imidazole hydrochloride,
AC1Q38JS,
CTK6H6874,
MFCD08445314,
AKOS026728291,
MCULE-6078667221,
NE43714,
EN300-06930,
2-(chloromethyl)-5-nitro-1H-benzimidazole hydrochloride,
2-chloromethyl-5-nitro-benzimidazole,hydrogen chloride salt,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.063g/mol |
| Monoisotopic Mass | 246.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number