2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol - CAS 629658-06-6
Catalog: |
BB031906 |
Product Name: |
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
CAS: |
629658-06-6 |
Synonyms: |
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
IUPAC Name: | 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS# 629658-06-6) is a useful research chemical. |
Molecular Weight: | 254.52 |
Molecular Formula: | C12H16BClO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)Cl |
InChI: | InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7,15H,1-4H3 |
InChI Key: | HBKJZGOCTNRSHF-UHFFFAOYSA-N |
Boiling Point: | 350.8 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
LogP: | 2.34480 |
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, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341434-A | PI3K/mTOR protein degradation targeting chimera compound and preparation method and medical application thereof | 20190808 |
WO-2019145729-A1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 20180125 |
AU-2019213214-A1 | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 20180125 |
BR-112020013759-A2 | heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 20180125 |
CN-111655681-A | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 20180125 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0881022 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0881022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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