AG003RWK

517870-15-4 | Methyl 5-(4-bromophenyl)isoxazole-3-carboxylate

AG003RWK

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CAS Number	517870-15-4
Catalog Number	AG003RWK(AGN-PC-0LDFPH)
Chemical Name	Methyl 5-(4-bromophenyl)isoxazole-3-carboxylate
IUPAC Name	methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChI Key	QDMKBPFKVHCOEZ-UHFFFAOYSA-N
MDL Number	MFCD03778968
Molecular Formula	C11H8BrNO3
Molecular Weight	282.0901
SMILES	O=C(C1=NOC(C2=CC=C(Br)C=C2)=C1)OC
Synonyms	METHYL 5-(4-BROMOPHENYL)ISOXAZOLE-3-CARBOXYLATE, 517870-15-4, methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate, 5-(4-bromophenyl)-3-Isoxazolecarboxylic acid methyl ester, AK-83936, MLS-0061871.0001, AC1ND5N7, MLS000114616, CHEMBL1331685, BDBM45844, cid_4569957, CTK6J1363, DTXSID40404361, REGID_for_CID_4569957, HMS1616H09, HMS2244C19, KS-00000BL4, ZINC2503034, 7096AJ, MFCD03778968, AKOS001689536, MCULE-3975064461, TRA0067016, AJ-35968, DA-18230, DS-17343, SMR000091967, SY015156, AX8268848, TC-308559, FT-0702562, ST24047954, ST45129131, Methyl5-(4-Bromophenyl)isoxazole-3-carboxylate, Z-4277, MFCD03778968 (97+%), 5-(4-bromophenyl)isoxazole-3-carboxylic acid methyl ester, C11H8BrNO3, ZINC02503034, CID4569957, 1003-29-8,

Complexity	254
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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