AG00309R

3048-45-1 | Benzothiazole, 4-chloro-

AG00309R

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CAS Number	3048-45-1
Catalog Number	AG00309R(AGN-PC-0NB4JM)
Chemical Name	Benzothiazole, 4-chloro-
IUPAC Name	4-chloro-1,3-benzothiazole
InChI	InChI=1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
InChI Key	IFEPGHPDQJOYGG-UHFFFAOYSA-N
MDL Number	MFCD11040158
Molecular Formula	C7H4ClNS
Molecular Weight	169.6314
SMILES	ClC1=CC=CC2=C1N=CS2
Synonyms	4-chlorobenzothiazole, 3048-45-1, 4-CHLOROBENZO[D]THIAZOLE, 4-chloro-1,3-benzothiazole, BENZOTHIAZOLE, 4-CHLORO-, PubChem21694, SCHEMBL926998, 4-chloranyl-1,3-benzothiazole, CTK8B5921, DTXSID70445303, IFEPGHPDQJOYGG-UHFFFAOYSA-N, KS-00003KS6, ANW-51136, MFCD11040158, ZINC34499397, AKOS006306533, CC-1285, FS-2801, MB09046, AJ-88957, AK-24714, BR-24714, CJ-18419, SC-26156, SY034410, AB0024093, DB-028823, ST2411359, TR-013095, FT-0646111, W5291, MFCD11040158 (95%), S-4864, A820397, Z2213893413, C7H4ClNS, Benzothiazole,4-chloro-, CID10821026, Benzothiazole, 4-chloro- (7CI,8CI,9CI), 4-Chlorobenzo[d]thiazole, 97% - 10MG 10mg,

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

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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