Basic information
- CAS
14561-93-4- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccccc1Cl- InChIKey
AZFSDKAHBOTEAG-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
- Monoisotopic mass
- 235.0400063
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-2-cyano-2-propenoic acid ethyl ester
- IUPAC
- ethyl 3-(2-chlorophenyl)-2-cyanoprop-2-enoate
- English name
- Ethyl 3-(2-chlorophenyl)-2-nitriloprop-2-enoate
- Molecular formula
- C12H10ClNO2
- Molecular weight
- 235.67
Names & synonyms
DTXSID1012073613-(2-chlorophenyl)-2-cyano-2-propenoic acid ethyl esterRefChem:490916DTXCID20163875924393-43-9ethyl 3-(2-chlorophenyl)-2-cyanoprop-2-enoateSCHEMBL10796295ZAA39343AKOS016038167ethyl-3-(2-chlorophenyl)-2-cyanoacrylateDS-013659ethyl 3-(2-chlorophenyl)-2-cyano-prop-2-enoate
Show more names
AKOS USSH-4110289RARECHEM AK ML 0353ETHYL 2-CHLORO-ALPHA-CYANOCINNAMATEethyl 3-(2-chlorophenyl)-2-cyanoacrylateEthyl (E)-3-(2-chlorophenyl)-2-cyanoacrylateEthyl 3-(2-chlorophenyl)-2-nitriloprop-2-enoate2-Propenoic acid, 3-(2-chlorophenyl)-2-cyano-, ethyl ester
2-Propenoic acid,3-(2-chlorophenyl)-2-cyano-, ethyl ester
Database identifiers
- CAS
14561-93-4- PubChem CID
- 26739
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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