Ethyl 5-Chloroindole-2-carboxylate - CAS 4792-67-0
Catalog: |
BB026431 |
Product Name: |
Ethyl 5-Chloroindole-2-carboxylate |
CAS: |
4792-67-0 |
Synonyms: |
5-chloro-1H-indole-2-carboxylic acid ethyl ester; ethyl 5-chloro-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 5-chloro-1H-indole-2-carboxylate |
Description: | Ethyl 5-Chloroindole-2-carboxylate (CAS# 4792-67-0) is a used in the synthetic preparation of a potent anticonvulsant Ethyl 4-methylamino-5,7-dichloro-2-quinolinecarboxylate. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Cl |
InChI: | InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3 |
InChI Key: | LWKIFKYHCJAIAB-UHFFFAOYSA-N |
Boiling Point: | 375 °C at 760 mmHg |
Density: | 1.329 g/cm3 |
MDL: | MFCD00005610 |
LogP: | 2.99800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112898193-A | Indole aryl sulfone derivative and preparation method and application thereof | 20210123 |
WO-2021083998-A1 | Synthesis of 3-({5-chloro-1-[3-(methylsulfonyl)propyl]-1h-indol-2 yl} methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one | 20191030 |
WO-2020173935-A1 | New isoindolinone substituted indoles and derivatives as ras inhibitors | 20190226 |
CN-113474340-A | Novel isoindolinone substituted indoles and derivatives as RAS inhibitors | 20190226 |
WO-2019199979-A1 | Antibacterial compounds | 20180410 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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