5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone
Basic information
- CAS
134274-45-6- Standard SMILES
O=C1Oc2cc(CN(CCCl)CCCl)c(O)c3cccc1c23- InChIKey
FFEJZWZVRIARDK-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2NO3
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 339.0428987
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone
- IUPAC
- 10-[bis(2-chloroethyl)aminomethyl]-9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one
- English name
- 5-hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone
- Molecular formula
- C16H15Cl2NO3
- Molecular weight
- 340.2012
Names & synonyms
5-Hcanc134274-45-65-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactoneDTXSID50158621RefChem:102814DTXCID70811122H-Naphtho(1,8-bc)furan-2-one, 7-((bis(2-chloroethyl)amino)ethyl)-6-hydroxy-7-{[Bis(2-chloroethyl)amino]methyl}-6-hydroxy-2H-naphtho[1,8-bc]furan-2-one
Database identifiers
- CAS
134274-45-6- PubChem CID
- 3036063
- DTXSID
DTXSID50158621
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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