AG003HZX

3919-76-4 | 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid

AG003HZX

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CAS Number	3919-76-4
Catalog Number	AG003HZX(AGN-PC-0JLQR4)
Chemical Name	3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid
EC Number	223-487-3
IUPAC Name	3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
InChI Key	WQXUUMUOERZZAE-UHFFFAOYSA-N
MDL Number	MFCD00051658
Molecular Formula	C11H7Cl2NO3
Molecular Weight	272.0842
SMILES	O=C(C1=C(C)ON=C1C2=C(Cl)C=CC=C2Cl)O
Synonyms	3919-76-4, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, 5-Methyl-3-(2',6'-dichlorophenyl)-4-isoxazolecarboxylic acid, 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-, 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid, MFCD00051658, 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, WQXUUMUOERZZAE-UHFFFAOYSA-N, EINECS 223-487-3, PubChem8684, Dicloxacillin Impurity D, AC1Q2DJO, ACMC-1CMB3, AC1L2T8A, AC1Q3L3X, SCHEMBL316185, Jsp006813, DTXSID5063233, CTK1C4124, ZINC105162, EBD22540, KS-00002AQ4, STR04961, CD-514, SBB028590, AKOS009156381, MCULE-2832302098, PS-7277, VO10068, AJ-11160, DB-049388, ST2404694, TC-170269, CS-0085267, FT-0625378, ST50407919, EN300-31438, K-8472, Pyridinium hydroxy propyl sulphobetaine; PPS-OH, W-106451, Z355423284, 3-(2,6-dichlorophenyl)-5-methylisoxazol-4-carboxylic acid, 4-Carboxy-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole, 5-Methyl-3-(2,6-dichlorophenyl)-4-isoxazolecarboxylic acid, 3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid, 4-Isoxazolecarboxylicacid, 3-(2,6-dichlorophenyl)-5-methyl-, PPS-OH, C11H7Cl2NO3, C11-H7-Cl2-N-O3, CID77521, AR-1G3019, Pyridinium hydroxy propyl sulphobetaine, CS-T-17741, 3- -5-methylisoxazole-4-carboxylicacid, 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid, 41055-60-1,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.98g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.081g/mol
Monoisotopic Mass	270.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

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