AG00C85E

3507-28-6 | 2-Chloro-5-methoxybenzothiazole

AG00C85E

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CAS Number	3507-28-6
Catalog Number	AG00C85E(AGN-PC-0LWG50)
Chemical Name	2-Chloro-5-methoxybenzothiazole
IUPAC Name	2-chloro-5-methoxy-1,3-benzothiazole
InChI	InChI=1S/C8H6ClNOS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChI Key	UUERHMFUYYXLRE-UHFFFAOYSA-N
MDL Number	MFCD00160069
Molecular Formula	C8H6ClNOS
Molecular Weight	199.6573
SMILES	COC1=CC2=C(SC(Cl)=N2)C=C1
Synonyms	3507-28-6, 2-CHLORO-5-METHOXYBENZOTHIAZOLE, 2-chloro-5-methoxybenzo[d]thiazole, 2-chloro-5-methoxy-1,3-benzothiazole, 2-Chloro-5-methoxy-benzothiazole, Benzothiazole, 2-chloro-5-methoxy-, AC1OEM6B, SCHEMBL779852, CTK8B7429, DTXSID30427600, UUERHMFUYYXLRE-UHFFFAOYSA-N, ZINC3866479, 4292AB, ANW-57271, AKOS005208176, MCULE-2138072607, AJ-46304, AK-40650, TC-146016, ST24027925, L-4880, 507C286, F1954-0004, C8H6ClNOS, Benzothiazole,2-chloro-5-methoxy-, ZINC03866479, CID7059200, 2-Chloro-5-methoxybenzo[d]thiazole, 97% - 10MG 10mg, Benzothiazole, 2-chloro-5-methoxy- (6CI,7CI,8CI,9CI),

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

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