Basic information
- CAS
24654-09-9- Standard SMILES
CCOC(=O)C#Cc1ccccc1Cl- InChIKey
OEYUQMLODPIMSE-UHFFFAOYSA-N- Molecular formula
- C11H9ClO2
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.02910721
Names & identifiers
- Preferred name
- Ethyl 3-(2-chlorophenyl)prop-2-ynoate
- IUPAC
- ethyl 3-(2-chlorophenyl)prop-2-ynoate
- English name
- (2-Chloro-phenyl)-propynoic acid ethyl ester
- Molecular formula
- C11H9ClO2
- Molecular weight
- 208.64
Names & synonyms
ethyl 3-(2-chlorophenyl)prop-2-ynoate24654-09-92-propynoic acid, 3-(2-chlorophenyl)-, ethyl esterDTXSID50348883RefChem:343123DTXCID80299955InChI=1/C11H9ClO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2H2,1HEthyl 3-(2-chlorophenyl)-2-propynoate(2-CHLORO-PHENYL)-PROPYNOIC ACID ETHYL ESTERSCHEMBL4637931OEYUQMLODPIMSE-UHFFFAOYSA-NMFCD07772998
Show more names
EN300-743595
Database identifiers
- CAS
24654-09-9- PubChem CID
- 641308
- DTXSID
DTXSID50348883
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 116 · 116-118 °C(Press: 0.2 Torr)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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