Basic information
- CAS
27077-16-3- Standard SMILES
ClCCN(CCCl)c1ccccc1Oc1ccccc1- InChIKey
QVTHUHDLSZTKLX-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2NO
- Average molar mass
- 310.2 g/mol
- Monoisotopic mass
- 309.0687196
Names & identifiers
- Preferred name
- n,n-Bis(2-chloroethyl)-2-phenoxyaniline
- IUPAC
- N,N-bis(2-chloroethyl)-2-phenoxyaniline
Names & synonyms
27077-16-3n,n-bis(2-chloroethyl)-2-phenoxyanilineNSC18438DTXSID90949833NSC-18438DS-006632BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2-PHENOXY-
Database identifiers
- CAS
27077-16-3- PubChem CID
- 227142
- DTXSID
DTXSID90949833
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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