AG001KQF

14527-46-9 | Thiazole, 5-​nitro-

AG001KQF

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CAS Number	14527-46-9
Catalog Number	AG001KQF(AGN-PC-0JSLMF)
Chemical Name	Thiazole, 5-​nitro-
IUPAC Name	5-nitro-1,3-thiazole
InChI	InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H
InChI Key	VVVCJCRUFSIVHI-UHFFFAOYSA-N
MDL Number	MFCD08436042
Molecular Formula	C3H2N2O2S
Molecular Weight	130.1252
SMILES	N(=O)(=O)c1cncs1
Synonyms	5-nitrothiazole, 5-nitrothiazole, 14527-46-9, 5-Nitro-1,3-thiazole, Thiazole, 5-nitro-, MFCD08436042, 5-Nitro-thiazole, AC1LBSYC, ACMC-209cuk, 5-Nitro-1,3-thiazole #, SCHEMBL375485, CHEMBL4065457, CTK0H3373, DTXSID70337299, VVVCJCRUFSIVHI-UHFFFAOYSA-N, ZX-AT019322, ANW-20922, FCH921607, OR3367, ZINC12471766, AKOS005146119, WT82726, AJ-62341, AS-45763, BL006203, CJ-14096, AX8159171, DB-063598, ST2406340, TR-005712, FT-0645821, V3357, B-3635, I14-11400, C3H2N2O2S, 5-nitrothiazole, 95% - 1G 1g, CID541661, A3156,

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	1.1

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

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