Ethyl 7-Bromoindole-2-carboxylate - CAS 16732-69-7
Catalog: |
BB012383 |
Product Name: |
Ethyl 7-Bromoindole-2-carboxylate |
CAS: |
16732-69-7 |
Synonyms: |
7-bromo-1H-indole-2-carboxylic acid ethyl ester; ethyl 7-bromo-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 7-bromo-1H-indole-2-carboxylate |
Description: | Ethyl 7-Bromoindole-2-carboxylate (CAS# 16732-69-7) 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)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2H2,1H3 |
InChI Key: | FKIRSCKRJJUCNI-UHFFFAOYSA-N |
Boiling Point: | 394.7 ℃ at 760 mmHg |
Density: | 1.554 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04972046 |
LogP: | 3.10710 |
Publication Number | Title | Priority Date |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
TW-202023553-A | Transglutaminase 2 (tg2) inhibitors | 20180810 |
AU-2019318543-A1 | Transglutaminase 2 (TG2) inhibitors | 20180810 |
CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 20180810 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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