Basic information
- Standard SMILES
O=S(=O)(O)CCl- InChIKey
HMPHJJBZKIZRHG-UHFFFAOYSA-N- Molecular formula
- CH3ClO3S
- Average molar mass
- 130.55 g/mol
- Monoisotopic mass
- 129.94914264
Names & identifiers
- Preferred name
- Chloromethanesulfonic acid
- IUPAC
- chloromethanesulfonic acid
- English name
- chloromethanesulfonic acid
- Molecular formula
- CH3ClO3S
- Molecular weight
- 130.55
Names & synonyms
chloromethanesulfonic acid40104-07-2DTXSID00960554RefChem:1081441DTXCID10870599Methanesulfonic acid, 1-chloro-ChlormethansulfosaureLinagliptin Impurity 1767TQN4NG7E5Methanesulfonic acid, chloro-SCHEMBL136676SCHEMBL136677
Show more names
SCHEMBL27513989HMPHJJBZKIZRHG-UHFFFAOYSA-N1-CHLOROMETHANESULFONIC ACIDAKOS006381935NS00114773EN300-7127888
Database identifiers
- CAS
40104-07-2- PubChem CID
- 187807
- DTXSID
DTXSID00960554- UNII
- 7TQN4NG7E5
- Nikkaji
- J1.302.993H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- pka
- -0.13 · -0.13±0.50(Predicted)
Chemistry & industry
Suppliers1 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Related reactions
3 records
Linked notes
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