AG0082RU

1123-49-5 | 3,5-Dimethyl-4-nitroisoxazole

AG0082RU

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CAS Number	1123-49-5
Catalog Number	AG0082RU(AGN-PC-0JNWMF)
Chemical Name	3,5-Dimethyl-4-nitroisoxazole
IUPAC Name	3,5-dimethyl-4-nitro-1,2-oxazole
InChI	InChI=1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3
InChI Key	PMQFLWLYAXYFHG-UHFFFAOYSA-N
MDL Number	MFCD00051656
Molecular Formula	C5H6N2O3
Molecular Weight	142.1127
NSC Number	93420
SMILES	CC1=NOC(=C1[N+](=O)[O-])C
Synonyms	3,5-Dimethyl-4-nitroisoxazole, 1123-49-5, 3,5-dimethyl-4-nitro-1,2-oxazole, Isoxazole, 3,5-dimethyl-4-nitro-, PMQFLWLYAXYFHG-UHFFFAOYSA-N, NSC93420, PubChem15544, AC1Q5AEQ, CHEMBL109851, Isoxazole,5-dimethyl-4-nitro-, SCHEMBL1328626, 3,5-Dimethyl-4-nitro-isoxazole, CTK4A7785, KS-00000NEY, DTXSID70294010, Isoxazole,3,5-dimethyl-4-nitro-, AC1L6591, ALBB-021497, ZINC2510118, MFCD00051656, NSC-93420, STK309203, AKOS000121209, 3,5-Dimethyl-4-nitroisoxazole, 98%, MCULE-5698379437, AJ-36378, AK121819, SY033605, DB-060196, 4CH-022186, CS-0085266, D4506, FT-0614681, R1820, ST24041251, ST45054902, Z2671, MFCD00051656 (98%), I14-6393, J-002757, Z57024345, InChI=1/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H, C5H6N2O3, AR-1E9753, CID261410, 3,5-Dimethyl-4-nitroisoxazole, 98% - 5G 5g, 1125-74-2,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.038g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.114g/mol
Monoisotopic Mass	142.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number