Basic information
- CAS
22953-56-6- Standard SMILES
O=C(Oc1ccc(N(CCCl)CCCl)cc1)c1ccc(F)cc1- InChIKey
DFINKRRPZPLYKC-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2FNO2
- Average molar mass
- 356.2 g/mol
- Monoisotopic mass
- 355.0542123
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate
- IUPAC
- [4-[bis(2-chloroethyl)amino]phenyl] 4-fluorobenzoate
- English name
- Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate
- Molecular formula
- C17H16Cl2FNO2
- Molecular weight
- 0
Names & synonyms
22953-56-6BRN 2767684p-(Bis(2-chloroethyl)amino)phenyl p-fluorobenzoatePhenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoatep-(Bis(2-chloroethyl)amino)phenol p-fluorobenzoateBenzoic acid, p-fluoro-, p-(bis(2-chloroethyl)amino)phenyl esterRefChem:3694434-(Bis(2-Chloroethyl)Amino)-Phenol 4-Fluorobenzoate4-[bis(2-chloroethyl)amino]phenyl 4-fluorobenzoateCHEMBL3246952DTXSID20945641p-[Bis(2-chloroethyl)amino]phenyl=p-fluorobenzoate
Show more names
4-Fluor-benzoesaeure-4-(N,N-bis-(2-chlorethyl)-amino)-phenylester
Database identifiers
- CAS
22953-56-6- PubChem CID
- 89927
- DTXSID
DTXSID20945641- ChEMBL
CHEMBL3246952
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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