AG002NU9

23598-72-3 | 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-

AG002NU9

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CAS Number	23598-72-3
Catalog Number	AG002NU9(AGN-PC-0JLYI5)
Chemical Name	4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
EC Number	245-770-0
IUPAC Name	3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChI Key	UVEPOHNXGXVOJE-UHFFFAOYSA-N
MDL Number	MFCD00020813
Molecular Formula	C11H8ClNO3
Molecular Weight	237.6391
NSC Number	81238
SMILES	O=C(C1=C(C)ON=C1C2=CC=CC=C2Cl)O
Synonyms	23598-72-3, 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid, 5-methyl-3-(2'-chlorophenyl)-4-isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, MFCD00020813, 3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid, 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl-, 5-Methyl-3-(2-chlorophenyl)-4-isoxazolecarboxylic acid, 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid (CMIC acid), cmic acid, NSC81238, EINECS 245-770-0, NSC 81238, PubChem8697, AC1L3JHO, AC1Q2DJN, Cloxacillin EP Impurity D, Cambridge id 5549841, 4-Carboxy-3-(2-chlorophenyl)-5-methylisoxazole, SCHEMBL459354, 3(2-chlorophenyl)-5-methyl-isoxazolyl-4-carboxylic acid, DTXSID4066913, CTK1A2860, KS-00003TOC, UVEPOHNXGXVOJE-UHFFFAOYSA-N, ZINC105306, NSC-81238, SBB010107, STK325639, AKOS000120474, MCULE-5057449805, NE17449, VO10069, AJ-11192, BAS 14277467, SC-46599, TS-03330, DB-046196, TR-045096, CS-0085276, FT-0613546, ST24029522, ST45159101, EN300-18171, VU0023400-2, AB00088580-01, A816791, 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylic, I01-3475, W-110574, 3-o-chlorophenyl-5-methylisoxazole-4-carboxylic acid, Z57254347, 3-(2-Chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid, 3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid, 3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methylisoxazole-4-carboxylic acid, 4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, F3351-0438, 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl- (8CI), N-hexyl nicotinoate, C11H8ClNO3, cc-193, C11-H8-Cl-N-O3, CID90203, 27241-31-2,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.019g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.639g/mol
Monoisotopic Mass	237.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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