AG004549

88982-87-0 | 4-Chloroisothiazole-5-carboxylic acid

AG004549

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CAS Number	88982-87-0
Catalog Number	AG004549(AGN-PC-041WN8)
Chemical Name	4-Chloroisothiazole-5-carboxylic acid
IUPAC Name	4-chloro-1,2-thiazole-5-carboxylic acid
InChI	InChI=1S/C4H2ClNO2S/c5-2-1-6-9-3(2)4(7)8/h1H,(H,7,8)
InChI Key	ATQDAONQAQHTEM-UHFFFAOYSA-N
MDL Number	MFCD19301176
Molecular Formula	C4H2ClNO2S
Molecular Weight	163.5822
SMILES	O=C(C1=C(Cl)C=NS1)O
Synonyms	88982-87-0, 4-chloroisothiazole-5-carboxylic acid, 4-Chloro-isothiazole-5-carboxylic acid, 4-CHLORO-5-ISOTHIAZOLE CARBOXYLIC ACID, 4-Chloro-1,2-thiazole-5-carboxylic acid, SCHEMBL8307355, CTK5G2064, DTXSID50633362, KS-00000RT7, MFCD19301176, ZINC62716011, AKOS022504935, ACN-045312, 5-Isothiazolecarboxylic acid, 4-chloro-, AK314030, DS-11991, SC-82108, CS-0036599, Z-6525,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.949g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.575g/mol
Monoisotopic Mass	162.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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