Methyl 5-Bromoindole-3-acetate - CAS 117235-22-0
Catalog: |
BB003907 |
Product Name: |
Methyl 5-Bromoindole-3-acetate |
CAS: |
117235-22-0 |
Synonyms: |
2-(5-bromo-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(5-bromo-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(5-bromo-1H-indol-3-yl)acetate |
Description: | Methyl 5-Bromoindole-3-acetate (CAS# 117235-22-0) is a useful research chemical. |
Molecular Weight: | 268.11 |
Molecular Formula: | C11H10BrNO2 |
Canonical SMILES: | COC(=O)CC1=CNC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3 |
InChI Key: | SSWHBDSYYMBTKI-UHFFFAOYSA-N |
LogP: | 2.64590 |
Publication Number | Title | Priority Date |
BR-112020008505-A2 | anti-infectious heterocyclic compounds and their uses | 20171103 |
CN-111566085-A | Anti-infective heterocyclic compounds and uses thereof | 20171103 |
EP-3710426-A1 | Anti-infective heterocyclic compounds and uses thereof | 20171103 |
KR-20200100049-A | Anti-infectious heterocyclic compounds and uses thereof | 20171103 |
US-2021246115-A1 | Anti-infective heterocyclic compounds and uses thereof | 20171103 |
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: | 2.4 |
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