Basic information
- CAS
57167-89-2- Standard SMILES
Cc1cc(=O)oc2c(OC(=O)N(CCCl)CCCl)c(OC(=O)N(CCCl)CCCl)ccc12- InChIKey
ORLQIXSVUNKNHX-UHFFFAOYSA-N- Molecular formula
- C20H22Cl4N2O6
- Average molar mass
- 528.2 g/mol
- Monoisotopic mass
- 526.023197
Names & identifiers
- Preferred name
- [8-[bis(2-chloroethyl)carbamoyloxy]-4-methyl-2-oxochromen-7-yl] N,N-bis(2-chloroethyl)carbamate
- IUPAC
- [8-[bis(2-chloroethyl)carbamoyloxy]-4-methyl-2-oxochromen-7-yl] N,N-bis(2-chloroethyl)carbamate
Names & synonyms
NSC19622057167-89-2DTXSID00307900NSC-1962204-Methyl-2-oxo-2H-1-benzopyran-7,8-diyl bis[bis(2-chloroethyl)carbamate]
Database identifiers
- CAS
57167-89-2- PubChem CID
- 304396
- DTXSID
DTXSID00307900
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…