6-Chloro-5-nitrotoluene-3-sulphonic acid
Basic information
- CAS
96-92-4- Standard SMILES
Cc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1Cl- InChIKey
OJTXHPQIEJMIJY-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO5S
- Average molar mass
- 251.64 g/mol
- Monoisotopic mass
- 250.9655212
Names & identifiers
- Preferred name
- 6-Chloro-5-nitrotoluene-3-sulphonic acid
- IUPAC
- 4-chloro-3-methyl-5-nitrobenzenesulfonic acid
- English name
- 6-chloro-5-nitrotoluene-3-sulphonic acid
- Molecular formula
- C7H6ClNO5S
- Molecular weight
- 251.64424
Names & synonyms
96-92-46-Chloro-5-nitrotoluene-3-sulphonic acid6-CHLORO-5-NITROTOLUENE-3-SULFONIC ACID4-chloro-3-methyl-5-nitrobenzenesulfonic acidEINECS 202-545-1NCIOpen2_0022764-chloro-3-methyl-5-nitrobenzene-1-sulfonic acidBenzenesulfonic acid, 4-chloro-3-methyl-5-nitro-SCHEMBL4479896SCHEMBL4479899DTXSID10242075OJTXHPQIEJMIJY-UHFFFAOYSA-N
Show more names
G69C32YP54NS00040504NCIOpen2_002276, CID66792, NSC60113, EINECS 202-545-1, 6-Chloro-5-nitrotoluene-3-sulphonic acid, 96-92-4
Database identifiers
- CAS
96-92-4- PubChem CID
- 66792
- DTXSID
DTXSID10242075- UNII
- G69C32YP54
- EC Number
- 202-545-1
- Nikkaji
- J182.118K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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