Basic information
- CAS
22953-51-1- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1- InChIKey
ZBGALQUZONQCFB-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2NO2
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.0792842
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-chloroethyl)amino)-, p-methylbenzoate
- IUPAC
- [4-[bis(2-chloroethyl)amino]phenyl] 4-methylbenzoate
Names & synonyms
BRN 2765430p-(Bis(2-chloroethyl)amino)phenyl p-methylbenzoate22953-51-1p-(Bis(2-chloroethyl)amino)phenol p-methylbenzoatePhenol, p-(bis(2-chloroethyl)amino)-, p-methylbenzoateBenzoic acid, p-methyl-, p-(bis(2-chloroethyl)amino)phenyl esterRefChem:3694454-[bis(2-chloroethyl)amino]phenyl 4-methylbenzoateCHEMBL3246946DTXSID90945638
Database identifiers
- CAS
22953-51-1- PubChem CID
- 89922
- DTXSID
DTXSID90945638- ChEMBL
CHEMBL3246946- Nikkaji
- J34.552K
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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