Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate
Basic information
- CAS
17272-99-0- Standard SMILES
COC(=O)c1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1- InChIKey
KSJTZCVYIBPJOW-UHFFFAOYSA-N- Molecular formula
- C19H20Cl2N2O4
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.0800125
Names & identifiers
- Preferred name
- Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate
- IUPAC
- methyl 4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]benzoate
Names & synonyms
17272-99-0methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoateNSC132095DTXSID70299686NSC-132095
Database identifiers
- CAS
17272-99-0- PubChem CID
- 280453
- DTXSID
DTXSID70299686
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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