AG00EON0

63321-86-8 | Benzothiazole, 2-methoxy- (7CI,9CI)

AG00EON0

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CAS Number	63321-86-8
Catalog Number	AG00EON0(AGN-PC-0JM1ZY)
Chemical Name	Benzothiazole, 2-methoxy- (7CI,9CI)
IUPAC Name	2-methoxy-1,3-benzothiazole
InChI	InChI=1S/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChI Key	OJKLTHIQRARJCE-UHFFFAOYSA-N
MDL Number	MFCD00085624
Molecular Formula	C8H7NOS
Molecular Weight	165.2123
NSC Number	81224
SMILES	COC=1SC2=C(N1)C=CC=C2
Synonyms	2-Methoxybenzothiazole, 63321-86-8, Benzothiazole, 2-methoxy-, 2-methoxy-1,3-benzothiazole, 2-Methoxybenzo[d]thiazole, methoxybenzothiazole, NSC81224, AC1L3WSC, AC1Q4FC2, 2-Methoxybenzothiazole, 97%, SCHEMBL347497, DTXSID00212707, ZINC394029, NSC-81224, AKOS024323141, MCULE-5458159963, DB-030166, FT-0735224, InChI=1/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H, Benzothiazole,2-methoxy-, C8-H7-N-O-S, CID96589, Benzothiazole, 2-methoxy- (7CI,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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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