AG003RWF

745078-74-4 | Methyl 5-(3-Bromophenyl)isoxazole-3-carboxylate

AG003RWF

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CAS Number	745078-74-4
Catalog Number	AG003RWF(AGN-PC-09SGL3)
Chemical Name	Methyl 5-(3-Bromophenyl)isoxazole-3-carboxylate
IUPAC Name	methyl 5-(3-bromophenyl)-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3
InChI Key	CMRCBZBHVKPEIX-UHFFFAOYSA-N
MDL Number	MFCD19442794
Molecular Formula	C11H8BrNO3
Molecular Weight	282.0901
SMILES	O=C(C1=NOC(C2=CC=CC(Br)=C2)=C1)OC
Synonyms	Methyl 5-(3-bromophenyl)isoxazole-3-carboxylate, 745078-74-4, 3-Isoxazolecarboxylic acid, 5-(3-bromophenyl)-, methyl ester, SCHEMBL5620616, 5-(3-Bromophenyl)-3-isoxazolecarboxylic acid methyl ester, CMRCBZBHVKPEIX-UHFFFAOYSA-N, 7092AJ, KM1619, MFCD19442794, ZINC83161172, AKOS015902808, TRA0026415, AK-83250, CJ-22098, DS-17100, SY015195, AJ-125783, AX8269005, TC-308555, FT-0738208, MFCD19442794 (97+%), I14-20218, 5-(3-Bromo-phenyl)-isoxazole-3-carboxylic Acid Methyl Ester, METHYL 5-(3-BROMOPHENYL)-1,2-OXAZOLE-3-CARBOXYLATE, C11H8BrNO3, 61-82-5,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.969g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	282.093g/mol
Monoisotopic Mass	280.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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