3-Bromo-5-methylisoxazole - CAS 25741-97-3

Catalog:	BB019019
Product Name:	3-Bromo-5-methylisoxazole
CAS:	25741-97-3
Synonyms:	3-bromo-5-methylisoxazole; 3-bromo-5-methyl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-methyl-1,2-oxazole
Description:	3-Bromo-5-methylisoxazole (CAS# 25741-97-3) is a useful research chemical.
Molecular Weight:	161.98
Molecular Formula:	C4H4BrNO
Canonical SMILES:	CC1=CC(=NO1)Br
InChI:	InChI=1S/C4H4BrNO/c1-3-2-4(5)6-7-3/h2H,1H3
InChI Key:	ICLAWFDDNFPOFQ-UHFFFAOYSA-N
Boiling Point:	202.1 °C at 760 mmHg
Density:	1.654 g/cm³
MDL:	MFCD06660140
LogP:	1.74550

Publication Number	Title	Priority Date
CN-109970673-A	The preparation method of SC 69124 sodium impurity	20171228
CN-107141293-A	A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application	20160301
CN-105228997-A	CARM1 inhibitor and uses thereof	20130315
CN-105228997-B	CARM1 inhibitor and application thereof	20130315
EP-2350090-A2	Spiro-oxindole compounds and their use as therapeutic agents	20081017

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	68.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.94763
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.94763
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5