AG00C7C0

3507-27-5 | BENZOTHIAZOLE, 2-CHLORO-4-METHOXY- (6CI,7CI,8CI,9CI)

AG00C7C0

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CAS Number	3507-27-5
Catalog Number	AG00C7C0(AGN-PC-0KBJM3)
Chemical Name	BENZOTHIAZOLE, 2-CHLORO-4-METHOXY- (6CI,7CI,8CI,9CI)
IUPAC Name	2-chloro-4-methoxy-1,3-benzothiazole
InChI	InChI=1S/C8H6ClNOS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3
InChI Key	MCCTXJVKIFYBJV-UHFFFAOYSA-N
MDL Number	MFCD04448819
Molecular Formula	C8H6ClNOS
Molecular Weight	199.6573
SMILES	COC1=CC=CC2=C1N=C(Cl)S2
Synonyms	3507-27-5, 2-Chloro-4-methoxybenzo[d]thiazole, 2-Chloro-4-methoxybenzothiazole, 2-Chloro-4-methoxy-benzothiazole, 2-chloro-4-methoxy-1,3-benzothiazole, PubChem21817, AC1M1H9P, MLS000678664, SCHEMBL2000543, CHEMBL1466873, CTK8C1286, Benzothiazole, 2-chloro-4-methoxy- (6CI,7CI,8CI,9CI), DTXSID20365946, MCCTXJVKIFYBJV-UHFFFAOYSA-N, HMS1655F09, HMS2719A04, ZINC2455690, 4291AB, ANW-66178, MFCD04448819, AKOS005208175, MCULE-2995247448, 2-chloranyl-4-methoxy-1,3-benzothiazole, AC-27173, AJ-35867, AK-80674, EN000667, SMR000323895, DB-027946, TC-154923, FT-0688528, L-4879, 507C275, A822519, I14-14912, F1910-0005, C8H6ClNOS, Benzothiazole, 2-chloro-4-methoxy-, ZINC02455690, CID2049862, 2-Chloro-4-methoxybenzo[d]thiazole, 97% - 10MG 10mg,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.986g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.652g/mol
Monoisotopic Mass	198.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number