Basic information
- CAS
22953-57-7- Standard SMILES
COc1ccc(C(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1- InChIKey
HYSSJKYEXPISGA-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2NO3
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.0741989
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate
- IUPAC
- [4-[bis(2-chloroethyl)amino]phenyl] 4-methoxybenzoate
- English name
- [4-[bis(2-chloroethyl)amino]phenyl] 4-methoxybenzoate
- Molecular formula
- C18H19Cl2NO3
- Molecular weight
- 0
Names & synonyms
22953-57-7BRN 3068934p-(Bis(2-chloroethyl)amino)phenyl p-methoxybenzoatep-(Bis(2-chloroethyl)amino)phenol p-methoxybenzoatePhenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoateBenzoic acid, p-methoxy-, p-(bis(2-chloroethyl)amino)phenyl esterRefChem:369444[4-[bis(2-chloroethyl)amino]phenyl] 4-methoxybenzoate4-[bis(2-chloroethyl)amino]phenyl 4-methoxybenzoateCHEMBL3246953DTXSID80945642p-[Bis(2-chloroethyl)amino]phenyl=p-methoxybenzoate
Database identifiers
- CAS
22953-57-7- PubChem CID
- 89928
- DTXSID
DTXSID80945642- ChEMBL
CHEMBL3246953- Nikkaji
- J50.112C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 361
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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