2-Chloro-3-fluorophenylboronic Acid - CAS 871329-52-1
Catalog: |
BB038283 |
Product Name: |
2-Chloro-3-fluorophenylboronic Acid |
CAS: |
871329-52-1 |
Synonyms: |
(2-chloro-3-fluorophenyl)boronic acid; (2-chloro-3-fluorophenyl)boronic acid |
IUPAC Name: | (2-chloro-3-fluorophenyl)boronic acid |
Description: | 2-Chloro-3-fluorophenylboronic Acid (CAS# 871329-52-1) is a useful research chemical. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5ClFO2B |
Canonical SMILES: | B(C1=C(C(=CC=C1)F)Cl)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H |
InChI Key: | TYOGIUGNZOBBHE-UHFFFAOYSA-N |
Boiling Point: | 313.4 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
MDL: | MFCD07363741 |
LogP: | 0.15890 |
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 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
CN-111484491-A | Substituted pyrido-cyclic compounds, process for their preparation and their use | 20190125 |
WO-2020081848-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0055154 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0055154 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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