4-Methoxyphenyl 4-chlorobenzoate
Basic information
- CAS
5410-99-1- Standard SMILES
COc1ccc(OC(=O)c2ccc(Cl)cc2)cc1- InChIKey
MSZPFWFDFWYVOE-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0396719
Names & identifiers
- Preferred name
- 4-Methoxyphenyl 4-chlorobenzoate
- IUPAC
- (4-methoxyphenyl) 4-chlorobenzoate
Names & synonyms
4-Methoxyphenyl 4-chlorobenzoate5410-99-1Benzoic acid, 4-chloro-, 4-methoxyphenyl esterBenzoic acid, p-chloro-, p-methoxyphenyl esterNSC108684-Chlorobenzoic acid 4-methoxyphenyl esterTimTec1_005506SCHEMBL532765DTXSID70278976MSZPFWFDFWYVOE-UHFFFAOYSA-NHMS1549K06NSC 10868
Show more names
NSC-10868STK698539AKOS001452038NCGC00173154-01ST40153744-Chlorobenzoic acid, 4-methoxyphenyl esterAB00079689-01SR-01000510813
Database identifiers
- CAS
5410-99-1- PubChem CID
- 223330
- DTXSID
DTXSID70278976- Nikkaji
- J3.134.051I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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