4-Fluoro-3-methoxyphenylboronic Acid - CAS 854778-31-7

Catalog:	BB037630
Product Name:	4-Fluoro-3-methoxyphenylboronic Acid
CAS:	854778-31-7
Synonyms:	(4-fluoro-3-methoxyphenyl)boronic acid; (4-fluoro-3-methoxyphenyl)boronic acid

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Computed Properties

IUPAC Name:	(4-fluoro-3-methoxyphenyl)boronic acid
Description:	4-Fluoro-3-methoxyphenylboronic Acid (CAS# 854778-31-7) is a useful research chemical.
Molecular Weight:	169.95
Molecular Formula:	C7H8FO3B
Canonical SMILES:	B(C1=CC(=C(C=C1)F)OC)(O)O
InChI:	InChI=1S/C7H8BFO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChI Key:	LUJMSRVFSBMEOY-UHFFFAOYSA-N
Boiling Point:	318.1 °C at 760 mmHg
Density:	1.26 g/cm³
LogP:	-0.48590

Publication Number	Title	Priority Date
CN-112939923-A	Organic photochromic compound and preparation method and application thereof	20210118
WO-2021203010-A1	Pyrrolo[2,3-f]indazole and 2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (aatd)	20200403
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021203025-A1	1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021175270-A1	Novel hpk1 inhibitor, preparation method therefor and application thereof	20200303

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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

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0550524
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.0550524
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0