AG003RWN

487034-01-5 | 3-(4-NITRO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER

AG003RWN

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CAS Number	487034-01-5
Catalog Number	AG003RWN(AGN-PC-0JY6LP)
Chemical Name	3-(4-NITRO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 5-(4-nitrophenyl)-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C11H8N2O5/c1-17-11(14)9-6-10(18-12-9)7-2-4-8(5-3-7)13(15)16/h2-6H,1H3
InChI Key	PORQPQFJPVHBLR-UHFFFAOYSA-N
MDL Number	MFCD02159572
Molecular Formula	C11H8N2O5
Molecular Weight	248.1916
SMILES	O=C(C1=NOC(C2=CC=C([N+]([O-])=O)C=C2)=C1)OC
Synonyms	Methyl 5-(4-nitrophenyl)isoxazole-3-carboxylate, 487034-01-5, methyl 5-(4-nitrophenyl)-1,2-oxazole-3-carboxylate, AC1LIDYM, KS-00000DKI, 5-(4-nitrophenyl)-3-Isoxazolecarboxylic acid methyl ester, ZINC520231, 7099AJ, MFCD02159572, STK544918, AKOS005474078, MCULE-5770018000, TRA0021275, AJ-23302, AS-32444, DA-18216, SY015164, AX8167005, TC-308563, FT-0712927, Methyl5-(4-Nitrophenyl)isoxazole-3-carboxylate, Z-4283, MFCD02159572 (97+%), 5-(4-nitro-phenyl)-isoxazole-3-carboxylic acid methyl ester, C11H8N2O5, CID929544, ZINC00520231, 693-98-1,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.043g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.194g/mol
Monoisotopic Mass	248.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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