2-Chloro-5-nitrophenylboronic Acid - CAS 867333-29-7
Catalog: |
BB038053 |
Product Name: |
2-Chloro-5-nitrophenylboronic Acid |
CAS: |
867333-29-7 |
Synonyms: |
(2-chloro-5-nitrophenyl)boronic acid; (2-chloro-5-nitrophenyl)boronic acid |
IUPAC Name: | (2-chloro-5-nitrophenyl)boronic acid |
Description: | 2-Chloro-5-nitrophenylboronic Acid (CAS# 867333-29-7) is a useful research chemical. |
Molecular Weight: | 201.37 |
Molecular Formula: | C6H5ClNO4B |
Canonical SMILES: | B(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)(O)O |
InChI: | InChI=1S/C6H5BClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H |
InChI Key: | KNFHCUNPMBSLRK-UHFFFAOYSA-N |
Boiling Point: | 392.9 °C at 760 mmHg |
Density: | 1.54 g/cm3 |
Appearance: | White solid |
MDL: | MFCD03095323 |
LogP: | 0.45120 |
Publication Number | Title | Priority Date |
WO-2020177629-A1 | Spiro-substituted pyrimidine-fused cyclic compound, preparation method therefor and medical use thereof | 20190301 |
CN-107922609-A | Delivery system based on cation glactaric acid polymer | 20150701 |
US-2018111916-A1 | Stk4 inhibitors for treatment of hematologic malignancies | 20150331 |
WO-2016161145-A1 | Stk4 inhibitors for treatment of hematologic malignancies | 20150331 |
US-10710978-B2 | STK4 inhibitors for treatment of hematologic malignancies | 20150331 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0000155 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0000155 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 86.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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