Basic information
- CAS
6317-27-7- Standard SMILES
CS(=O)(=O)Oc1ccc(Cl)cc1- InChIKey
LSGFXGPDQYGPDG-UHFFFAOYSA-N- Molecular formula
- C7H7ClO3S
- Average molar mass
- 206.65 g/mol
- Monoisotopic mass
- 205.9804429
Names & identifiers
- Preferred name
- 4-Chlorophenyl methanesulfonate
- IUPAC
- (4-chlorophenyl) methanesulfonate
- English name
- U 21743-
- Molecular formula
- C7H7ClO3S
- Molecular weight
- 206.65
Names & synonyms
4-chlorophenyl methanesulfonate6317-27-7U 21743-(4-chlorophenyl) methanesulfonatemethanesulfonic acid,4-chlorophenyl esterNSC404854-chlorophenyl mesylateSCHEMBL243974-chlorophenyl methylsulfonateSCHEMBL197150SCHEMBL15067208DTXSID90285102
Show more names
p-chlorophenyl mesylatemethanesulfonic acid, 4-chlorophenyl ester
NSC-40485AKOS002285411ST50808595AO-548/33743006
Database identifiers
- CAS
6317-27-7- PubChem CID
- 237182
- DTXSID
DTXSID90285102- Nikkaji
- J1.107.015I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 323 · 323.0±34.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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