AG0083F1

1121-14-8 | 3-Nitro-4,5-dihydroisoxazole

AG0083F1

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CAS Number	1121-14-8
Catalog Number	AG0083F1(AGN-PC-0JMP58)
Chemical Name	3-Nitro-4,5-dihydroisoxazole
IUPAC Name	3-nitro-4,5-dihydro-1,2-oxazole
InChI	InChI=1S/C3H4N2O3/c6-5(7)3-1-2-8-4-3/h1-2H2
InChI Key	FXCSVYLFCWALFV-UHFFFAOYSA-N
MDL Number	MFCD11878031
Molecular Formula	C3H4N2O3
Molecular Weight	116.0755
NSC Number	359453
SMILES	O=[N+](C1=NOCC1)[O-]
Synonyms	3-Nitro-4,5-dihydroisoxazole, 1121-14-8, 3-NITROISOXAZOLINE, 3-nitro-4,5-dihydro-1,2-oxazole, 4,5-Dihydro-3-nitroisoxazole, 3-Nitro-2-isoxazoline, AK122830, NSC359453, AC1L39HT, C3H4N2O3, SCHEMBL1097476, 4,5-Dihydro-3-nitro-isoxazole, CTK4A7665, DTXSID00149903, Isoxazole,4,5-dihydro-3-nitro-, KS-00000R5J, ZINC1584492, 2138AA, MFCD11878031, AKOS016012358, DS-6743, FCH1184732, MB10652, NSC-359453, AJ-27526, CJ-05502, ST2410816, 4CH-016271, CID136885,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.022g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.076g/mol
Monoisotopic Mass	116.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number