Basic information
- Standard SMILES
O=C(O)c1cc(Br)cc(NCS(=O)(=O)CCCl)c1Cl- InChIKey
QICDZECYENQXPN-UHFFFAOYSA-N- Molecular formula
- C10H10BrCl2NO4S
- Average molar mass
- 391.1 g/mol
- Monoisotopic mass
- 388.8891
Names & identifiers
- Preferred name
- 2-Chloro-5-bromo-[(beta-chloroethyl)-sulfonylmethylamino]-benzoic acid
- IUPAC
- 5-bromo-2-chloro-3-(2-chloroethylsulfonylmethylamino)benzoic acid
Names & synonyms
SCHEMBL11681285QICDZECYENQXPN-UHFFFAOYSA-N2-chloro-5-bromo-[(beta-chloroethyl)-sulfonylmethylamino]-benzoic acid
Database identifiers
- PubChem CID
- 21399337
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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