1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione

HCID 96178

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Basic information

CAS: 59026-29-8
Standard SMILES: O=C1C(=O)N(CN(CCCl)CCCl)c2ccccc21
InChIKey: KPBPOHZNBRDOGP-UHFFFAOYSA-N
Molecular formula: C13H14Cl2N2O2
Average molar mass: 301.16 g/mol
Monoisotopic mass: 300.0432331

Names & identifiers

Preferred name: 1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione
IUPAC: 1-[bis(2-chloroethyl)aminomethyl]indole-2,3-dione

Names & synonyms

1-((Bis(2-chloroethyl)amino)methyl)-1H-indole-2,3-dione59026-29-81H-Indole-2,3-dione, 1-((bis(2-chloroethyl)amino)methyl)-1-{[Bis(2-chloroethyl)amino]methyl}-1H-indole-2,3-dioneNCIOpen2_007599DTXSID70207786NSC58144NSC 58144NSC-58144DS-007911

Database identifiers

CAS: 59026-29-8
PubChem CID: 96178
DTXSID: DTXSID70207786

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 346

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