Basic information
- CAS
6387-22-0- Standard SMILES
Cc1c(Cl)cc(N)cc1S(=O)(=O)O- InChIKey
JNAFLISQSIEQJI-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO3S
- Average molar mass
- 221.66 g/mol
- Monoisotopic mass
- 220.991342
Names & identifiers
- Preferred name
- 4-Amino-6-chlorotoluene-2-sulphonic acid
- IUPAC
- 5-amino-3-chloro-2-methylbenzenesulfonic acid
- English name
- 4-amino-6-chlorotoluene-2-sulphonic acid
- Molecular formula
- C7H8ClNO3S
- Molecular weight
- 221.66
Names & synonyms
4-amino-6-chlorotoluene-2-sulphonic acid6387-22-05-amino-3-chloro-2-methylbenzenesulfonic acid5-Amino-3-chlorotoluene-2-sulphonic acidEINECS 228-992-25-Amino-3-chloro-2-methylbenzene-1-sulfonic acidSCHEMBL176785DTXSID909806403-Amino-5-chloro-6-methylbenzenesulfonic acidBenzenesulfonic acid, 5-amino-3-chloro-2-methyl-
Database identifiers
- CAS
6387-22-0- PubChem CID
- 80805
- DTXSID
DTXSID90980640- EC Number
- 228-992-2
- Nikkaji
- J166.399B
Properties
Computed structural properties
- XLogP
- 1
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
9 records
Compound notes
Loading…