Basic information
- CAS
163160-58-5- Standard SMILES
CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12- InChIKey
WXWCGWHURZEBEH-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
- IUPAC
- ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
- English name
- 2-(5-Chloro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
163160-58-5ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetateMFCD125462612-(5-Chloro-1H-indol-3-yl)-2-oxoacetic acid ethyl esterEthyl 2-(5-Chloro-3-indolyl)-2-oxoacetate1H-Indole-3-acetic acid, 5-chloro-alpha-oxo-, ethyl esterethyl2-(5-chloro-1H-indol-3-yl)-2-oxoacetateEthyl 2-(5-chloro-1H-indol-3-yl)-2-oxo-acetateSCHEMBL404854DTXSID10437262WXWCGWHURZEBEH-UHFFFAOYSA-NAKOS006297223
Show more names
5-Chloro-3-indoleglyoxylic acid ethyl ester1H-INDOLE-3-ACETIC ACID, 5-CHLORO-α-OXO-, ETHYL ESTER
PB41006AS-53212SY058618DB-083423CS-0049531Ethyl (5-chloro-1H-indol-3-yl)(oxo)acetateP16204F517220
Database identifiers
- CAS
163160-58-5- PubChem CID
- 10243897
- DTXSID
DTXSID10437262- Nikkaji
- J638.588E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 422.3 · 422.3±25.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 13.67 · 13.67±0.30(Predicted)
- Appearance
- orange solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers8 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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