Basic information
- CAS
69884-95-3- Standard SMILES
O=S(=O)(Oc1ccccc1)c1cccc(N(CCCl)CCCl)c1- InChIKey
GGZAWYUQKKSFAR-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2NO3S
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.03062
Names & identifiers
- Preferred name
- Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester
- IUPAC
- phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate
Names & synonyms
BRN 3004118Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl esterm-(Bis(2-chloroethyl)amino)benzenesulfonic acid phenyl ester69884-95-3DTXSID40220164RefChem:325597DTXCID40142655phenyl 3-[bis(2-chloroethyl)amino]benzene-1-sulfonate
Database identifiers
- CAS
69884-95-3- PubChem CID
- 3053404
- DTXSID
DTXSID40220164- Nikkaji
- J62.187K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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