AG003QBP

866040-66-6 | Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate

AG003QBP

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CAS Number	866040-66-6
Catalog Number	AG003QBP(AGN-PC-0L9Q6N)
Chemical Name	Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate
IUPAC Name	ethyl 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C12H10N2O5/c1-2-18-12(15)10-7-11(19-13-10)8-4-3-5-9(6-8)14(16)17/h3-7H,2H2,1H3
InChI Key	SSOVVOHZUNJEAK-UHFFFAOYSA-N
MDL Number	MFCD03848619
Molecular Formula	C12H10N2O5
Molecular Weight	262.2182
SMILES	CCOC(=O)C1=NOC(=C1)C1=CC(=CC=C1)[N+]([O-])=O
Synonyms	Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate, 866040-66-6, 5-(3-Nitro-phenyl)-isoxazole-3-carboxylic acid ethyl ester, Ethyl 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate, MLS000696439, AC1N962H, CHEMBL1472264, CTK6F7713, DTXSID80402301, ZINC6350433, 3585AC, ANW-67689, MFCD03848619, AKOS005096680, MCULE-2934644266, TRA0046648, AJ-56097, DA-18234, OR346231, SMR000336551, SY015193, AX8237890, TR-072143, FT-0732989, ethyl 5-(3-nitrophenyl)-3-isoxazolecarboxylate, Z-4304, MFCD03848619 (95+%), 5W-0869, 5-(3-nitrophenyl)isoxazole-3-carboxylic acid ethyl ester, 5-(3-nitrophenyl)-3-Isoxazolecarboxylic acid ethyl ester, C12H10N2O5, CID4355579, 351003-22-0,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.059g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.221g/mol
Monoisotopic Mass	262.059g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	98.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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