AG00GUZN

931-07-7 | 4-Nitro-isothiazole

AG00GUZN

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CAS Number	931-07-7
Catalog Number	AG00GUZN(AGN-PC-0JKB9D)
Chemical Name	4-Nitro-isothiazole
IUPAC Name	4-nitro-1,2-thiazole
InChI	InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-8-2-3/h1-2H
InChI Key	FNXPAYVHLSTHQY-UHFFFAOYSA-N
MDL Number	MFCD01716903
Molecular Formula	C3H2N2O2S
Molecular Weight	130.1252
SMILES	O=[N+](C1=CSN=C1)[O-]
Synonyms	4-Nitroisothiazole, 4-Nitro-isothiazole, 931-07-7, ISOTHIAZOLE, 4-NITRO-, 4-nitro-1,2-thiazole, BRN 0907283, AC1L222F, SCHEMBL10398917, CTK3I7436, DTXSID70239264, FNXPAYVHLSTHQY-UHFFFAOYSA-N, ZINC2040162, MFCD01716903, AKOS006276225, AJ-33219, AS-38169, FS000717, LS-86311, ST24043950, X-3711, C3H2N2O2S, C3-H2-N2-O2-S, CID13599,

Complexity	102
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.984g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.121g/mol
Monoisotopic Mass	129.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number