2-Amino-6-chloro-4-methylbenzenesulfonic acid
Basic information
- CAS
61886-30-4- Standard SMILES
Cc1cc(N)c(S(=O)(=O)O)c(Cl)c1- InChIKey
WNMAWFMEPUIBGN-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO3S
- Average molar mass
- 221.66 g/mol
- Monoisotopic mass
- 220.991342
Names & identifiers
- Preferred name
- 2-Amino-6-chloro-4-methylbenzenesulfonic acid
- IUPAC
- 2-amino-6-chloro-4-methylbenzenesulfonic acid
Names & synonyms
2-Amino-6-chloro-4-methylbenzenesulfonic acid2-amino-6-chloro-4-methylbenzene-1-sulfonic acid61886-30-4SCHEMBL10599464DTXSID501252744
Database identifiers
- CAS
61886-30-4- PubChem CID
- 21294873
- DTXSID
DTXSID501252744- Nikkaji
- J166.389E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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