AG008NMX

7716-66-7 | 3-Chlorobenzo[d]isothiazole

AG008NMX

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CAS Number	7716-66-7
Catalog Number	AG008NMX(AGN-PC-0JTJGT)
Chemical Name	3-Chlorobenzo[d]isothiazole
IUPAC Name	3-chloro-1,2-benzothiazole
InChI	InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChI Key	BCPVKLRBQLRWDQ-UHFFFAOYSA-N
MDL Number	MFCD00673254
Molecular Formula	C7H4ClNS
Molecular Weight	169.6314
SMILES	ClC1=NSC2=CC=CC=C12
Synonyms	3-Chloro-1,2-benzisothiazole, 7716-66-7, 3-chlorobenzo[d]isothiazole, 3-chloro-1,2-benzothiazole, 3-CHLOROBENZISOTHIAZOLE, 3-Chloro-1,2-benzoisothiazole, 1,2-Benzisothiazole, 3-chloro-, MFCD00673254, 3-Chloro-benzo[d]isothiazole, BCPVKLRBQLRWDQ-UHFFFAOYSA-N, Chlorobenzisothiazole, PubChem22324, ACMC-1BDKO, AC1LCB68, AC1Q3KY6, AC1Q3KY7, AC1Q3KY8, 3-Chlorobenzo[d]isothia-zole, KSC495K7P, SCHEMBL291121, CTK3J5577, 3-chloro-(1,2-benzisothiazole), DTXSID20344599, HMS1732N07, KS-000000EG, ZINC2380704, AC-224, AN-775, ANW-36968, BBL010761, SBB088345, STK576537, AKOS000117368, CC-1906, CS-W016032, MCULE-2535283752, PS-4455, QC-1743, RP23193, SB14698, TRA-0201816, AJ-34677, AK-37779, BC207416, CJ-08104, SC-13255, SY050239, AB0008378, DB-050606, RT-002604, ST2417657, TL8005303, A9771, BB 0216396, C1991, FT-0615291, ST50408344, EN300-10958, MFCD00673254 (97%), M-2826, 197871-EP2269610A2, 716C667, I01-2528, Q-200367, F0001-1985, C7H4ClNS, 1,2-Benzisothiazole, 3-chloro, N-Methyl-N-(1-methylpropyl)amine, CID598190, ZINC02380704, ACN-028537, 3-Carbethoxy-4-piperidone hydrochloride, 3-Chloro-1,2-benzisothiazole, 99% - 25G 25g,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.975g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.626g/mol
Monoisotopic Mass	168.975g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

Lot Number