| CAS Number | 1956321-85-9 |
| Catalog Number | AG003AFX(AGN-PC-0WQUB2) |
| Chemical Name | 1H-Benzimidazole-6-sulfonyl chloride, hydrochloride (1:1) |
| IUPAC Name | 3H-benzimidazole-5-sulfonyl chloride;hydrochloride |
| InChI | InChI=1S/C7H5ClN2O2S.ClH/c8-13(11,12)5-1-2-6-7(3-5)10-4-9-6;/h1-4H,(H,9,10);1H |
| InChI Key | XESBSBJNPJQJAV-UHFFFAOYSA-N |
| MDL Number | MFCD22495367 |
| Molecular Formula | C7H6Cl2N2O2S |
| Molecular Weight | 253.1057 |
| SMILES | S(Cl)(=O)(=O)C1=CC=C2C(=C1)N=CN2.Cl |
| Synonyms | 1H-Benzimidazole-5-sulfonyl chloride hydrochloride,
1956321-85-9,
1H-Benzo[d]imidazole-6-sulfonyl chloride hydrochloride,
C7H5ClN2O2S.HCl,
ZX-CM003116,
4711AH,
MFCD22495367,
AKOS022186331,
1H-1,3-benzodiazole-5-sulfonyl chloride hydrochloride,
4006193-25G,
F9995-2642,
1H-Benzimidazole-6-sulfonyl chloride, hydrochloride (1:1),
1094350-38-5,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.097g/mol |
| Monoisotopic Mass | 251.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number