AG0037QD

25741-97-3 | 3-Bromo-5-methylisoxazole

AG0037QD

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CAS Number	25741-97-3
Catalog Number	AG0037QD(AGN-PC-0KKPDI)
Chemical Name	3-Bromo-5-methylisoxazole
IUPAC Name	3-bromo-5-methyl-1,2-oxazole
InChI	InChI=1S/C4H4BrNO/c1-3-2-4(5)6-7-3/h2H,1H3
InChI Key	ICLAWFDDNFPOFQ-UHFFFAOYSA-N
MDL Number	MFCD06660140
Molecular Formula	C4H4BrNO
Molecular Weight	161.9847
SMILES	BrC1=NOC(=C1)C
Synonyms	3-Bromo-5-methylisoxazole, 25741-97-3, 3-bromo-5-methyl-1,2-oxazole, Isoxazole, 3-bromo-5-methyl-, 3-BROMO-5-METHYL-ISOXAZOLE, 3-bromo-5-methyl isoxazole, PubChem22265, AC1MC7ZA, AMOT0119, Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI), SCHEMBL2308342, CTK8B6668, DTXSID70376825, HT760, KS-00000JV7, ZINC4198777, 2132AB, ANW-53972, MFCD06660140, AKOS006294615, CB-3783, CS-W018569, QC-3933, AJ-48262, AK-34396, AM803594, BC004776, DA-17120, DS-12497, SC-66317, 25741-97-3 3-bromo-5-methylisoxazole, AB0095584, ST2417564, TX-016700, 4CH-012507, FT-0649675, Z-6151, I14-20434, C4H4BrNO, 3-Amino-5-methylisoxazole, Ethyl3-bromoisoxazole-5-carboxylate, Ethyl 3-bromoisoxazole-5-carboxylate, ZINC04198777, CID2763224, 3-Methoxymethoxy-2-tributylstannylpyridine, A1975, B2183, 105174-97-8, 405137-20-4,

Complexity	68.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.948g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.986g/mol
Monoisotopic Mass	160.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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