2-Chloro-5-Fluorobenzeneboronic Acid - CAS 444666-39-1
Catalog: |
BB050283 |
Product Name: |
2-Chloro-5-Fluorobenzeneboronic Acid |
CAS: |
444666-39-1 |
Synonyms: |
2-chloro-5-fluorophenylboronic acid |
IUPAC Name: | (2-chloro-5-fluorophenyl)boronic acid |
Description: | 2-Chloro-5-Fluorobenzeneboronic Acid (CAS# 444666-39-1 ) is a useful research chemical. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5BClFO2 |
Canonical SMILES: | B(C1=C(C=CC(=C1)F)Cl)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H |
InChI Key: | OVTZJDSREVDCTJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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