1-Methylindole-2-boronic Acid - CAS 191162-40-0
Catalog: |
BB014791 |
Product Name: |
1-Methylindole-2-boronic Acid |
CAS: |
191162-40-0 |
Synonyms: |
(1-methyl-2-indolyl)boronic acid; (1-methylindol-2-yl)boronic acid |
IUPAC Name: | (1-methylindol-2-yl)boronic acid |
Description: | 1-Methylindole-2-boronic Acid (CAS# 191162-40-0) is a useful research chemical. |
Molecular Weight: | 174.99 |
Molecular Formula: | C9H10NO2B |
Canonical SMILES: | B(C1=CC2=CC=CC=C2N1C)(O)O |
InChI: | InChI=1S/C9H10BNO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6,12-13H,1H3 |
InChI Key: | CBPBJUTWVXLSER-UHFFFAOYSA-N |
Boiling Point: | 402.6 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Appearance: | Solid |
LogP: | -0.14190 |
GHS Hazard Statement: | H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018385713-A1 | Polycyclic compounds as allosteric SHP2 inhibitors | 20171215 |
TW-201927791-A | Polycyclic compounds as allosteric SHP2 inhibitors | 20171215 |
WO-2019118909-A1 | Polycyclic compounds as allosteric shp2 inhibitors | 20171215 |
BR-112020009757-A2 | polycyclic compounds as allosteric inhibitors of shp2 | 20171215 |
CA-3084058-A1 | Polycyclic compounds as allosteric shp2 inhibitors | 20171215 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0804587 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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