4-Amino-2-chlorophenylboronic Acid Pinacol Ester - CAS 877160-63-9
Catalog: |
BB038609 |
Product Name: |
4-Amino-2-chlorophenylboronic Acid Pinacol Ester |
CAS: |
877160-63-9 |
Synonyms: |
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 4-Amino-2-chlorophenylboronic Acid Pinacol Ester (CAS# 877160-63-9) is a useful research chemical. |
Molecular Weight: | 253.53 |
Molecular Formula: | C12H17ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)Cl |
InChI: | InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3 |
InChI Key: | YKQXROMICPMQBZ-UHFFFAOYSA-N |
Boiling Point: | 374.5 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Appearance: | Solid |
LogP: | 2.80260 |
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 |
CN-112574224-A | KRAS G12C inhibitor and application thereof | 20190930 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
TW-202005968-A | Heteroaryl compounds as type II IRAK inhibitors and uses thereof | 20180405 |
IL-277408-D0 | Troaril compounds as Iraqi type ii inhibitors and their use | 20180405 |
BR-112020018383-A2 | HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK TYPE II AND USES OF THE SAME | 20180405 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.1040866 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.1040866 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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