AG002YC2

2942-06-5 | Benzothiazole, 6-nitro-

AG002YC2

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CAS Number	2942-06-5
Catalog Number	AG002YC2(AGN-PC-0JLPWG)
Chemical Name	Benzothiazole, 6-nitro-
EC Number	220-933-9
IUPAC Name	6-nitro-1,3-benzothiazole
InChI	InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChI Key	QLUFBCVWKTWKBF-UHFFFAOYSA-N
MDL Number	MFCD00014569
Molecular Formula	C7H4N2O2S
Molecular Weight	180.1839
NSC Number	170646
SMILES	N(=O)(=O)c1cc2c(cc1)ncs2
Synonyms	6-Nitrobenzothiazole, 2942-06-5, 6-nitrobenzo[d]thiazole, Benzothiazole, 6-nitro-, 6-Nitro-1,3-benzothiazole, 6-nitro-benzothiazole, QLUFBCVWKTWKBF-UHFFFAOYSA-N, AK-26610, W-106990, NSC170646, PubChem21845, ACMC-1CIQI, AC1L2QIA, AC1Q1ZSR, 6-Nitrobenzothiazole, 99%, SCHEMBL393608, 6-Nitro-1,3-benzothiazole #, CTK1A6398, KS-00000VBY, KS-00003SCF, DTXSID10183636, ACT02318, ALBB-023106, STR02426, ZINC1688653, ZX-AN021620, ZX-AT015308, EINECS 220-933-9, ANW-50651, CN-141, SBB067662, AKOS003288490, AM84900, CM14013, CS-W004502, FCH1114674, MCULE-1981666104, NSC-170646, OR30630, RP24145, TRA-0184545, AJ-29944, BR-26610, CJ-06418, CJ-27978, SC-28688, ST092713, AB1007408, AX8105379, DB-029326, ST2412468, TC-069902, TX-012187, A5490, FT-0621271, W5192, M-4294, C-52200, I14-4818, InChI=1/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4, null, C7H4N2O2S, CID76256, AR-1H2410, MFCD00014569, 6-Nitrobenzothiazole, 98% - 100G 100g, Benzothiazole, 6-nitro- (6CI,7CI,8CI,9CI), 3082-03-9,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.181g/mol
Monoisotopic Mass	179.999g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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