AG003M3Q

334017-34-4 | 5-(2-Chlorophenyl)isoxazole-3-carboxylic acid

AG003M3Q

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CAS Number	334017-34-4
Catalog Number	AG003M3Q(AGN-PC-0K0E5S)
Chemical Name	5-(2-Chlorophenyl)isoxazole-3-carboxylic acid
IUPAC Name	5-(2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChI Key	ZNPCZHXBSWBBCV-UHFFFAOYSA-N
MDL Number	MFCD06005852
Molecular Formula	C10H6ClNO3
Molecular Weight	223.6125
SMILES	O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)O
Synonyms	334017-34-4, 5-(2-chlorophenyl)isoxazole-3-carboxylic acid, 5-(2-CHLOROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID, 5-(2-chlorophenyl)-1,2-oxazole-3-carboxylic acid, 5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid, 3-Isoxazolecarboxylic acid, 5-(2-chlorophenyl)-, AC1LLVGP, BAS 12248248, TimTec1_008278, AC1Q748H, SCHEMBL3413937, CTK4H0544, DTXSID00360217, ZNPCZHXBSWBBCV-UHFFFAOYSA-N, HMS1557I06, ZINC810961, KS-00000CQ5, MFCD06005852, SBB011521, STK341356, AKOS000142041, AB22977, MCULE-5330580841, RTR-056197, TRA0061856, AJ-23949, AS-31215, ST063667, SY015504, AB0057214, DB-024289, TR-056197, 5-(2-Chlorophenyl)-3-hydroxymethylisoxazole, CS-0085285, FT-0742918, 5-(2-Chlorophenyl)-3-isoxazolecarboxylicAcid, EN300-36523, Z-4316, 5-(2-Chlorophenyl)-isoxazole-3-carboxylic acid, MFCD06005852 (95+%), F1967-0244, Z370706874, 5-(2-Chlorophenyl)-3-isoxazolecarboxylic acid, AldrichCPR, CID1090977, 1458-98-6, 343374-44-7,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.004g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.612g/mol
Monoisotopic Mass	223.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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