AG00309Q

3048-46-2 | 4-Methoxy-1,3-benzothiazole

AG00309Q

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CAS Number	3048-46-2
Catalog Number	AG00309Q(AGN-PC-0NJOP8)
Chemical Name	4-Methoxy-1,3-benzothiazole
IUPAC Name	4-methoxy-1,3-benzothiazole
InChI	InChI=1S/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
InChI Key	XQPAPBLJJLIQGV-UHFFFAOYSA-N
MDL Number	MFCD16877170
Molecular Formula	C8H7NOS
Molecular Weight	165.2123
SMILES	COC1=C2N=CSC2=CC=C1
Synonyms	3048-46-2, 4-Methoxybenzo[d]thiazole, 4-Methoxybenzothiazole, 4-methoxy-1,3-benzothiazole, Benzothiazole, 4-methoxy-, 4-methoxy-benzothiazole, SCHEMBL926186, BEN170, CHEMBL1269477, CTK8C4541, DTXSID20505027, XQPAPBLJJLIQGV-UHFFFAOYSA-N, 3196AB, ANW-72315, MFCD16877170, ZINC39256738, AKOS016007620, AJ-99452, AS-40439, EN000668, TC-161060, FT-0647054, J3.650.446C, C8H7NOS, 4-Methoxybenzo[d]thiazole, 97% - 1G 1g, Benzothiazole, 4-methoxy- (7CI,8CI,9CI),

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.21g/mol
Monoisotopic Mass	165.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number