| CAS Number | 1094350-38-5 |
| Catalog Number | AG008VDY(AGN-PC-0WB6CS) |
| Chemical Name | 1H-Benzimidazole-6-sulfonyl chloride |
| IUPAC Name | 3H-benzimidazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H5ClN2O2S/c8-13(11,12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10) |
| InChI Key | JNMLTUHOYVRGHB-UHFFFAOYSA-N |
| MDL Number | MFCD11207482 |
| Molecular Formula | C7H5ClN2O2S |
| Molecular Weight | 216.6448 |
| SMILES | N1C=NC2=C1C=C(C=C2)S(=O)(=O)Cl |
| Synonyms | 1094350-38-5,
1h-benzimidazole-6-sulfonyl chloride,
1H-Benzo[d]imidazole-6-sulfonyl chloride,
1H-benzimidazole-5-sulfonyl chloride,
SCHEMBL4429284,
DTXSID40655215,
3H-benzimidazole-5-sulfonyl chloride,
AKOS005264410,
AKOS022185007,
ZINC100146162,
1H-1,3-Benzodiazole-5-sulfonyl chloride,
DA-15632,
FT-0760384,
1H-benzimidazole-5-sulfonyl chloride(SALTDATA,
B90109,
Y-6702,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.639g/mol |
| Monoisotopic Mass | 215.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8(6.1)
|
|
Hazard statements
|
H301-H311-H314-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P403+P233-P405-P501
|
|
UN Code
|
UN 2923
|
Certificate of Analysis
Lot Number