AG00145D

1379324-66-9 | 7-Benzothiazolecarboxylic acid, 2-chloro-

AG00145D

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CAS Number	1379324-66-9
Catalog Number	AG00145D(AGN-PC-0WA6IB)
Chemical Name	7-Benzothiazolecarboxylic acid, 2-chloro-
IUPAC Name	2-chloro-1,3-benzothiazole-7-carboxylic acid
InChI	InChI=1S/C8H4ClNO2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H,11,12)
InChI Key	MMDQFYIMUCGXIW-UHFFFAOYSA-N
MDL Number	MFCD13195420
Molecular Formula	C8H4ClNO2S
Molecular Weight	213.6409
SMILES	O=C(C1=C(SC(Cl)=N2)C2=CC=C1)O
Synonyms	2-Chlorobenzo[d]thiazole-7-carboxylic acid, 1379324-66-9, AK-31620, KS-00000RMN, DTXSID80856825, MFCD13195420, ZINC84311553, AKOS022173703, FCH1382245, DS-11365, 7-Benzothiazolecarboxylic acid, 2-chloro-, AB0057325, AJ-126254, AX8257391, ST2416806, 4CH-012545, Z4134, 2-chloro-1,3-benzothiazole-7-carboxylic acid, C8H4ClNO2S, MP-2000,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.965g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.635g/mol
Monoisotopic Mass	212.965g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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