Methyl 3-Bromoindole-5-carboxylate - CAS 916179-88-9
Catalog: |
BB040280 |
Product Name: |
Methyl 3-Bromoindole-5-carboxylate |
CAS: |
916179-88-9 |
Synonyms: |
3-bromo-1H-indole-5-carboxylic acid methyl ester; methyl 3-bromo-1H-indole-5-carboxylate |
IUPAC Name: | methyl 3-bromo-1H-indole-5-carboxylate |
Description: | Methyl 3-Bromoindole-5-carboxylate (CAS# 916179-88-9) is a useful research chemical. |
Molecular Weight: | 254.08 |
Molecular Formula: | C10H8BrNO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)NC=C2Br |
InChI: | InChI=1S/C10H8BrNO2/c1-14-10(13)6-2-3-9-7(4-6)8(11)5-12-9/h2-5,12H,1H3 |
InChI Key: | NSZAFPUTJXZLKC-UHFFFAOYSA-N |
LogP: | 2.71700 |
Publication Number | Title | Priority Date |
EP-3423435-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
JP-2019513697-A | Substituted indole Mcl-1 inhibitors | 20160304 |
WO-2017152076-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
US-2021283138-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
US-2017114019-A1 | 18-20 member bi-polycyclic compounds | 20140604 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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