4-(Chlorocarbonyl)phenylboronic Acid - CAS 332154-57-1
Catalog: |
BB021609 |
Product Name: |
4-(Chlorocarbonyl)phenylboronic Acid |
CAS: |
332154-57-1 |
Synonyms: |
(4-carbonochloridoylphenyl)boronic acid; (4-carbonochloridoylphenyl)boronic acid |
IUPAC Name: | (4-carbonochloridoylphenyl)boronic acid |
Description: | 4-(Chlorocarbonyl)phenylboronic Acid (CAS# 332154-57-1) is a useful research chemical. |
Molecular Weight: | 184.38 |
Molecular Formula: | C7H6ClO3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)Cl)(O)O |
InChI: | InChI=1S/C7H6BClO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H |
InChI Key: | ARKQVAQLGLIPAU-UHFFFAOYSA-N |
Boiling Point: | 350.9 ℃ at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD08062416 |
LogP: | 0.47290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015333738-A1 | Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors | 20141013 |
AU-2015333738-B2 | Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors | 20141013 |
CA-2963973-A1 | Ataxia telengiectasia and rad3-related (atr) protein kinase inhibitors | 20141013 |
EP-3207031-A1 | Ataxia telengiectasia and rad3-related (atr) protein kinase inhibitors | 20141013 |
JP-2017531041-A | Telangiectasia ataxia and Rad3-related (ATR) protein kinase inhibitors | 20141013 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0098519 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0098519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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