Basic information
- CAS
21667-00-5- Standard SMILES
Cc1ccccc1C(=O)Oc1ccc(N(CCCl)CCCl)cc1- InChIKey
KRRMOOMFGMSJHJ-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)-, o-methylbenzoate
- IUPAC
- [4-[bis(2-chloroethyl)amino]phenyl] 2-methylbenzoate
- English name
- [4-[bis(2-chloroethyl)amino]phenyl] 2-methylbenzoate
- Molecular formula
- C18H19Cl2NO2
- Molecular weight
- 352.26
Names & synonyms
BRN 276611021667-00-5Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoateDTXSID40176051p-(Bis(2-chloroethyl)amino)phenol o-methylbenzoateBenzoic acid, o-methyl-, p-(bis(2-chloroethyl)amino)phenyl esterRefChem:369440DTXCID60985424-[bis(2-chloroethyl)amino]phenyl 2-methylbenzoateCHEMBL3246945[4-[bis(2-chloroethyl)amino]phenyl] 2-methylbenzoateBenzoic acid, 2-methyl-, 4-[bis(2-chloroethyl)amino]phenyl ester
Database identifiers
- CAS
21667-00-5- PubChem CID
- 89003
- DTXSID
DTXSID40176051- ChEMBL
CHEMBL3246945- Nikkaji
- J50.113A
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
- 353
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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