5-Amino-4-(4-bromophenyl)isoxazole - CAS 925007-32-5

Catalog:	BB040542
Product Name:	5-Amino-4-(4-bromophenyl)isoxazole
CAS:	925007-32-5
Synonyms:	4-(4-bromophenyl)-1,2-oxazol-5-amine

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Computed Properties

IUPAC Name:	4-(4-bromophenyl)-1,2-oxazol-5-amine
Description:	5-Amino-4-(4-bromophenyl)isoxazole (CAS# 925007-32-5) is a useful research chemical.
Molecular Weight:	239.07
Molecular Formula:	C9H7BrN2O
Canonical SMILES:	C1=CC(=CC=C1C2=C(ON=C2)N)Br
InChI:	InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChI Key:	DHBUAOKIJSWCEB-UHFFFAOYSA-N
LogP:	3.26750

Publication Number	Title	Priority Date
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
WO-2013025733-A1	Lysophosphatidic acid receptor antagonists	20110815
US-2013072449-A1	Lysophosphatidic acid receptor antagonists	20110320

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Related Functional Groups

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[618383-47-4]
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[126085-91-4]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.97418
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.97418
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3