5-Fluoro-2-formylphenylboronic Acid - CAS 1256355-30-2

Catalog:	BB006160
Product Name:	5-Fluoro-2-formylphenylboronic Acid
CAS:	1256355-30-2
Synonyms:	(5-fluoro-2-formylphenyl)boronic acid; (5-fluoro-2-formylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(5-fluoro-2-formylphenyl)boronic acid
Description:	5-Fluoro-2-formylphenylboronic Acid (CAS# 1256355-30-2) is a useful research chemical.
Molecular Weight:	167.93
Molecular Formula:	C7H6FO3B
Canonical SMILES:	B(C1=C(C=CC(=C1)F)C=O)(O)O
InChI:	InChI=1S/C7H6BFO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4,11-12H
InChI Key:	FLYQNYPIYYNUCW-UHFFFAOYSA-N
LogP:	-0.68200

Publication Number	Title	Priority Date
AU-2015220427-B2	Compounds for use as GPR120 agonists	20140219
CA-2935897-A1	Compounds for use as gpr120 agonists	20140219
CA-2935897-C	Compounds for use as gpr120 agonists	20140219
EP-3107901-A1	Compounds for use as gpr120 agonists	20140219
EP-3107901-B1	Compounds for use as gpr120 agonists	20140219

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0394024
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.0394024
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0