Basic information
- CAS
4092-85-7- Standard SMILES
O=C(O)CCCc1ccc(N(CCF)CCCl)cc1- InChIKey
OWBUABLEZFMTMG-UHFFFAOYSA-N- Molecular formula
- C14H19ClFNO2
- Average molar mass
- 287.76 g/mol
- Monoisotopic mass
- 287.1088347
Names & identifiers
- Preferred name
- Butyric acid, 4-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
- IUPAC
- 4-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]butanoic acid
Names & synonyms
NSC 85214BRN 28138434092-85-7BUTYRIC ACID, 4-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-4-(p-((2-Chloroethyl)(2-fluoroethyl)amino)phenyl)butyric acidDTXSID40193925RefChem:331315DTXCID80116416NSC85214NCIOpen2_004976NSC-852144-{4-[(2-CHLOROETHYL)(2-FLUOROETHYL)AMINO]PHENYL}BUTANOIC ACID
Database identifiers
- CAS
4092-85-7- PubChem CID
- 20029
- DTXSID
DTXSID40193925- Nikkaji
- J65.874J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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