3-(4-Bromophenyl)isoxazole - CAS 13484-04-3

Catalog:	BB008023
Product Name:	3-(4-Bromophenyl)isoxazole
CAS:	13484-04-3
Synonyms:	3-(4-bromophenyl)-1,2-oxazole

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Computed Properties

IUPAC Name:	3-(4-bromophenyl)-1,2-oxazole
Description:	3-(4-Bromophenyl)isoxazole (CAS# 13484-04-3) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC(=CC=C1C2=NOC=C2)Br
InChI:	InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H
InChI Key:	BZZNOXIJKCPQNF-UHFFFAOYSA-N
Purity:	97.0 %
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD08446384
LogP:	3.10410

Publication Number	Title	Priority Date
CN-110483430-A	A kind of preparation method of Isoxazole derivative	20190814
US-2021078975-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
US-2018273906-A1	Microvesicle and stem cell compositions for therapeutic applications	20140417

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Related Functional Groups

Isoxazoles

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[326829-08-7]
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[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7