3-Amino-4-fluorophenylboronic Acid - CAS 873566-75-7

Catalog:	BB038400
Product Name:	3-Amino-4-fluorophenylboronic Acid
CAS:	873566-75-7
Synonyms:	(3-amino-4-fluorophenyl)boronic acid; (3-amino-4-fluorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-amino-4-fluorophenyl)boronic acid
Description:	3-Amino-4-fluorophenylboronic Acid (CAS# 873566-75-7) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	154.93
Molecular Formula:	C6H7FNO2B
Canonical SMILES:	B(C1=CC(=C(C=C1)F)N)(O)O
InChI:	InChI=1S/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
InChI Key:	SYBMNJPUZMUPGQ-UHFFFAOYSA-N
LogP:	-0.33110

Publication Number	Title	Priority Date
CN-112094362-A	Nicotinamide ribose or mononucleotide analogue-macromolecular carrier conjugate, preparation method and application	20200929
CN-111420641-A	Phenylboronic acid modified metal-organic framework composite fiber, and preparation method and application thereof	20200430
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CN-111440328-B	Boric acid modified metal oxide nano array-MOF composite material, and preparation method and application thereof	20200430
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	155.0553868
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	155.0553868
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0