2-Oxoindoline-5-boronic Acid Pinacol Ester - CAS 837392-64-0
Catalog: |
BB037085 |
Product Name: |
2-Oxoindoline-5-boronic Acid Pinacol Ester |
CAS: |
837392-64-0 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one |
Description: | 2-Oxoindoline-5-boronic Acid Pinacol Ester (CAS# 837392-64-0) is a useful research chemical. |
Molecular Weight: | 259.11 |
Molecular Formula: | C14H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)C3 |
InChI: | InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17) |
InChI Key: | BXFPTCYBFJOZHJ-UHFFFAOYSA-N |
Boiling Point: | 424.907 °C at 760 mmHg |
Density: | 1.163 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08669935 |
LogP: | 1.61840 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2020248864-A1 | Passivator, passivation method therefor and method for preparing semiconductor film | 20190612 |
WO-2020142485-A1 | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
WO-2020142486-A1 | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
CN-113508111-A | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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