AG002W45

28691-49-8 | 1,2-Benzisoxazole-3-carboxylic acid, 6-chloro-

AG002W45

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CAS Number	28691-49-8
Catalog Number	AG002W45(AGN-PC-0ALJC7)
Chemical Name	1,2-Benzisoxazole-3-carboxylic acid, 6-chloro-
IUPAC Name	6-chloro-1,2-benzoxazole-3-carboxylic acid
InChI	InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChI Key	NWWICAZKQSVOGE-UHFFFAOYSA-N
MDL Number	MFCD09027540
Molecular Formula	C8H4ClNO3
Molecular Weight	197.5753
SMILES	ClC2=CC1=C(C(=NO1)C(=O)O)C=C2
Synonyms	6-CHLOROBENZO[D]ISOXAZOLE-3-CARBOXYLIc acid, 28691-49-8, 6-chloro-1,2-benzoxazole-3-carboxylic acid, 1,2-Benzisoxazole-3-carboxylic acid, 6-chloro-, CTK4G1902, DTXSID50716987, KS-00000JX3, ANW-50700, BBL102154, MFCD09027540, STL555953, ZINC71787947, AKOS006288834, DS-0767, RP04122, WT82276, AK-31876, BR-31876, AB0023966, AJ-118527, DB-067966, ST2412337, TR-036363, 4CH-012658, FT-0762032, W5130, 6-Chloro-1,2-benzisoxazole-3-carboxylic acid, S-7253, J-518607, Z1741975538, C8H4ClNO3,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.988g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.574g/mol
Monoisotopic Mass	196.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

Lot Number