Ethyl 5-Bromoindole-2-carboxylate - CAS 16732-70-0
Catalog: |
BB012384 |
Product Name: |
Ethyl 5-Bromoindole-2-carboxylate |
CAS: |
16732-70-0 |
Synonyms: |
5-bromo-1H-indole-2-carboxylic acid ethyl ester; ethyl 5-bromo-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 5-bromo-1H-indole-2-carboxylate |
Description: | Ethyl 5-Bromoindole-2-carboxylate (CAS# 16732-70-0) is a useful research chemical. |
Molecular Weight: | 268.11 |
Molecular Formula: | C11H10BrNO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Br |
InChI: | InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3 |
InChI Key: | LWRLKENDQISGEU-UHFFFAOYSA-N |
Boiling Point: | 394.7 °C at 760 mmHg |
Density: | 1.554 g/cm3 |
MDL: | MFCD00022701 |
LogP: | 3.10710 |
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 |
WO-2021155841-A1 | Heterocyclic glp-1 agonists | 20200207 |
WO-2021107125-A1 | Compound having lysophosphatidic acid receptor agonistic activity and pharmaceutical use of said compound | 20191129 |
WO-2021045469-A1 | Heterocyclic compound and organic light-emitting device comprising same | 20190903 |
CN-112300129-A | Heterocyclic compounds as BCR-ABL inhibitors | 20190729 |
WO-2021018194-A1 | Heterocyclic compounds as bcr-abl inhibitors | 20190729 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.98949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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