Basic information
- CAS
220520-51-4- Standard SMILES
CCCCc1nc2ccc(S(=O)(=O)Cl)cc2[nH]1- InChIKey
MTTWXMJHGKPVLI-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O2S
- Average molar mass
- 272.75 g/mol
- Monoisotopic mass
- 272.0386265
Names & identifiers
- Preferred name
- 2-Butyl-1H-benzimidazole-6-sulfonyl chloride
- IUPAC
- 2-butyl-3H-benzimidazole-5-sulfonyl chloride
- English name
- B90108
- Molecular formula
- C11H13ClN2O2S
- Molecular weight
- 272.75112
Names & synonyms
220520-51-42-Butyl-1H-benzimidazole-6-sulfonyl chlorideDTXSID105715592-Butyl-1H-1,3-benzimidazole-6-sulfonyl chlorideB901082-Butyl-1H-benzimidazole-5-sulfonyl chloride
Database identifiers
- CAS
220520-51-4- PubChem CID
- 15327240
- DTXSID
DTXSID10571559
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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