Basic information
- CAS
727409-20-3- Standard SMILES
CCOC(=O)c1ccc(C(=O)c2ccc(Cl)nc2)cc1- InChIKey
DKDSPYFTYAWREV-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Names & identifiers
- Preferred name
- Ethyl 4-(6-chloropyridine-3-carbonyl)benzoate
- IUPAC
- ethyl 4-(6-chloropyridine-3-carbonyl)benzoate
- English name
- 4-(6-Chloropyridine-3-carbonyl)benzoic acid ethyl ester
- Molecular formula
- C15H12ClNO3
- Molecular weight
- 289.71
Names & synonyms
727409-20-3Ethyl 4-(6-chloropyridine-3-carbonyl)benzoateDTXSID00469850RefChem:343740DTXCID00420668Ethyl 4-(6-chloronicotinoyl)benzoate2-chloro-5-(4-ethoxycarbonylbenzoyl)pyridineMFCD02260459Ethyl4-(6-chloronicotinoyl)benzoateAKOS016018728F2022604-(6-Chloropyridine-3-carbonyl)benzoic acid ethyl ester
Show more names
Benzoic acid, 4-[(6-chloro-3-pyridinyl)carbonyl]-, ethyl ester
Database identifiers
- CAS
727409-20-3- PubChem CID
- 11637848
- DTXSID
DTXSID00469850- Nikkaji
- J2.258.241K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 448.5 · 448.5±40.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- -2.66 · -2.66±0.10(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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