Basic information
- CAS
8075-80-7- Standard SMILES
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1.O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1- InChIKey
NPEWWDZHWUOTJH-UHFFFAOYSA-N- Molecular formula
- C21H17Cl4N3O5
- Average molar mass
- 533.2 g/mol
- Monoisotopic mass
- 530.992231
Names & identifiers
- Preferred name
- Agn-PC-0jkht9
- IUPAC
- 2,4-dichloro-1-(4-nitrophenoxy)benzene;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
Names & synonyms
AGN-PC-0JKHT98075-80-7DTXSID70274776N'-(3,4-Dichlorophenyl)-N-methoxy-N-methylurea--2,4-dichloro-1-(4-nitrophenoxy)benzene (1/1)
Database identifiers
- CAS
8075-80-7- PubChem CID
- 24745
- DTXSID
DTXSID70274776
Properties
Computed structural properties
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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