AG008T8P

111454-71-8 | 3-Bromoisoxazole

AG008T8P

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CAS Number	111454-71-8
Catalog Number	AG008T8P(AGN-PC-00OELU)
Chemical Name	3-Bromoisoxazole
IUPAC Name	3-bromo-1,2-oxazole
InChI	InChI=1S/C3H2BrNO/c4-3-1-2-6-5-3/h1-2H
InChI Key	GQMPHUXGZCDVGQ-UHFFFAOYSA-N
MDL Number	MFCD07778379
Molecular Formula	C3H2BrNO
Molecular Weight	147.9581
SMILES	BrC1=NOC=C1
Synonyms	3-BROMOISOXAZOLE, 111454-71-8, 3-Bromo-1,2-oxazole, Isoxazole, 3-bromo-, 3-Bromo-isoxazole, bromoisoxazole, Isoxazole,3-bromo-, bromo-isoxazole, 3-Bromoisoxazole?, racemic bromoisoxazole, 3-bromanyl-1,2-oxazole, ACMC-20a2x6, SCHEMBL742724, 3-Bromo-isoxazole, AldrichCPR, CTK0H3327, DTXSID00552852, GQMPHUXGZCDVGQ-UHFFFAOYSA-N, BCP21100, 2067AA, ANW-54712, MFCD07778379, ZINC30677654, AKOS006286136, ACN-044544, CB-2318, PS-5207, AJ-83876, AK-32851, AM802930, AN-33564, SC-48588, SY009266, RT-008630, CS-0039114, FT-0692087, MFCD07778379 (95%), C-1802, 454B718, A802364, I10-0307, J-002579, C3H2BrNO, Isoxazole, 3-bromo- (9CI),

Complexity	50.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.932g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.959g/mol
Monoisotopic Mass	146.932g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number