Basic information
- CAS
59908-53-1- Standard SMILES
CCOC(=O)c1cc2cc(Cl)ccc2n1C- InChIKey
GECRCAVZSPCTDM-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0556563
Names & identifiers
- Preferred name
- Ethyl 5-chloro-1-methyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-chloro-1-methylindole-2-carboxylate
- English name
- 1H-Indole-2-carboxylic acid, 5-chloro-1-Methyl-, ethyl ester
- Molecular formula
- C12H12ClNO2
- Molecular weight
- 237.68
Names & synonyms
ethyl 5-chloro-1-methyl-1H-indole-2-carboxylate59908-53-1DTXSID60397908RefChem:344308DTXCID50348767ethyl 5-chloro-1-methylindole-2-carboxylate1H-Indole-2-carboxylic acid, 5-chloro-1-methyl-, ethyl esterSCHEMBL1253237GECRCAVZSPCTDM-UHFFFAOYSA-NALBB-036975JCA90853STK086111
Show more names
ETHYL-5-CHLORO-1-METHYL INDOLE-2-CARBOXYLATE
AKOS005393068DA-04530ethyl 5-chloro-1-methyl-indole-2-carboxylate5-chloro-1-methyl-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- CAS
59908-53-1- PubChem CID
- 3911003
- DTXSID
DTXSID60397908
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers6 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海林栎生物科技有限公司13761635123 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
6 records
Compound notes
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