AG000SOS

1263378-26-2 | 5-BroMo-3-Methylisoxazole

AG000SOS

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CAS Number	1263378-26-2
Catalog Number	AG000SOS(AGN-PC-09RRKU)
Chemical Name	5-BroMo-3-Methylisoxazole
IUPAC Name	5-bromo-3-methyl-1,2-oxazole
InChI	InChI=1S/C4H4BrNO/c1-3-2-4(5)7-6-3/h2H,1H3
InChI Key	FLVASSBEDDEYIT-UHFFFAOYSA-N
MDL Number	MFCD11216979
Molecular Formula	C4H4BrNO
Molecular Weight	161.9847
SMILES	CC1=NOC(Br)=C1
Synonyms	5-Bromo-3-methylisoxazole, 1263378-26-2, 5-bromo-3-methyl-1,2-oxazole, PubChem22269, Isoxazole, 5-bromo-3-methyl-, DTXSID00696184, 5-BROMO-3-METHYL-ISOXAZOLE, 3130AJ, ZINC75629462, AKOS006307974, BC004780, AJ-121834, C4H4BrNO,

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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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