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5-Fluoro-2-methoxyphenylboronic acid(CAS No. 179897-94-0)

5-Fluoro-2-methoxyphenylboronic acid C7H8BFO3 (cas 179897-94-0) Molecular Structure

179897-94-0 Structure

Identification and Related Records

【Name】
5-Fluoro-2-methoxyphenylboronic acid
【Iupac name】
(5-fluoro-2-methoxyphenyl)boronic acid
【CAS Registry number】
179897-94-0
【Synonyms】
(5-Fluoro-2-methoxyphenyl)boronic acid
2-Methoxy-5-fluorophenylboronic acid
2-Methoxy-5-fluorobenzeneboronic acid
【Molecular Formula】
C7H8BFO3 (Products with the same molecular formula)
【Molecular Weight】
169.95
【Inchi】
InChI=1/C6H6BFO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
【Canonical SMILES】
B(C1=C(C=CC(=C1)F)OC)(O)O
【MOL File】
179897-94-0.mol

Chemical and Physical Properties

【Density】
1.26g/cm3
【Melting Point】
144-153℃
【Boiling Point】
337.1°Cat760mmHg
【Vapour】
2.08E-05mmHg at 25°C
【Refractive Index】
1.552
【Flash Point】
157.6°C
【Computed Properties】
Molecular Weight:169.946023 [g/mol]
Molecular Formula:C7H8BFO3
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:170.055053
MonoIsotopic Mass:170.055053
Topological Polar Surface Area:49.7
Heavy Atom Count:12
Formal Charge:0
Complexity:145
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36;S37;S39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

Supplier Location

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