p-Benzoquinone, 2,5-bis(di-2'-chloroethylamino)-
Basic information
- CAS
23205-90-5- Standard SMILES
O=C1C=C(NCCCl)C(=O)C=C1NCCCl- InChIKey
ILTIYUJVMJJAQT-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2N2O2
- Average molar mass
- 263.12 g/mol
- Monoisotopic mass
- 262.027583
Names & identifiers
- Preferred name
- p-Benzoquinone, 2,5-bis(di-2'-chloroethylamino)-
- IUPAC
- 2,5-bis(2-chloroethylamino)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
23205-90-5p-Benzoquinone, 2,5-bis(di-2'-chloroethylamino)-BCR2ZS8FC6NSC 260523BRN 28486052,5-Bis(di-2'-chloroethylamino)-1,4-benzoquinoneNSC-260523DTXSID20177788p-Benzoquinone, 2,5-bis((2-chloroethyl)amino)-2,5-BIS((2-CHLOROETHYL)AMINO)-2,5-CYCLOHEXADIENE-1,4-DIONE2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-BIS((2-CHLOROETHYL)AMINO)-RefChem:202467
Show more names
DTXCID80100279p-Benzoquinone, 2,5-bis((2-chloroethyl)amino)-(8CI)NSC2605232,5-bis[(2-chloroethyl)amino]cyclohexa-2,5-diene-1,4-dioneUNII-BCR2ZS8FC6CHEMBL33299632,5-bis(2-chloroethylamino)cyclohexa-2,5-diene-1,4-dioneMFCD11499379
Database identifiers
- CAS
23205-90-5- PubChem CID
- 90030
- DTXSID
DTXSID20177788- ChEMBL
CHEMBL3329963- UNII
- BCR2ZS8FC6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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