3-Cyano-4-hydroxyphenylboronic Acid Pinacol Ester - CAS 775351-56-9
Catalog: |
BB035985 |
Product Name: |
3-Cyano-4-hydroxyphenylboronic Acid Pinacol Ester |
CAS: |
775351-56-9 |
Synonyms: |
2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 3-Cyano-4-hydroxyphenylboronic Acid Pinacol Ester (CAS# 775351-56-9) is a useful research chemical. |
Molecular Weight: | 245.08 |
Molecular Formula: | C13H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C#N |
InChI: | InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7,16H,1-4H3 |
InChI Key: | PUOBFTBTFCPICR-UHFFFAOYSA-N |
LogP: | 1.56308 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112689637-A | Imidazopyridinone compounds | 20180913 |
EP-3808747-A1 | Imidazopyridinone compound | 20180913 |
KR-20210057014-A | Imidazopyridinone compound | 20180913 |
US-2021206765-A1 | Imidazopyridinone compound | 20180913 |
TW-202019946-A | Acetamide compound with induction effect of BIT protein decomposition and its use as medicine | 20180704 |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1223235 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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