Basic information
- CAS
64048-63-1- Standard SMILES
COC1=CC(=O)C(N(CCCl)CCCl)=CC1=O- InChIKey
ABDORDNSDLKMOD-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NO3
- Average molar mass
- 278.13 g/mol
- Monoisotopic mass
- 277.0272487
Names & identifiers
- Preferred name
- p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methoxy-
- IUPAC
- 2-[bis(2-chloroethyl)amino]-5-methoxycyclohexa-2,5-diene-1,4-dione
- English name
- 5-[Bis(2-chloroethyl)amino]-2-methoxy-1,4-benzoquinone
- Molecular formula
- C11H13Cl2NO3
- Molecular weight
- 278.13
Names & synonyms
64048-63-1p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methoxy-2-Methoxy-5-(di-2'-chloroethylamino)-1,4-benzoquinoneDTXSID00214145NSC 240528RefChem:367602DTXCID001366362-[bis(2-chloroethyl)amino]-5-methoxycyclohexa-2,5-diene-1,4-dioneNSC2405285-[Bis(2-chloroethyl)amino]-2-methoxy-1,4-benzoquinoneNSC-240528DB-306429
Show more names
2,5-Cyclohexadiene-1,4-dione, 2-[bis(2-chloroethyl)amino]-5-methoxy-
2,4-dione, 2-[bis(2-chloroethyl)amino]-5-methoxy-5-methoxy-2-[di(chloroethyl)amino]-1,4-benzoquinone
Database identifiers
- CAS
64048-63-1- PubChem CID
- 99546
- DTXSID
DTXSID00214145- Nikkaji
- J65.483C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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