AG001VVV

161798-03-4 | 5-Thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester

AG001VVV

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CAS Number	161798-03-4
Catalog Number	AG001VVV(AGN-PC-0NCK7O)
Chemical Name	5-Thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
IUPAC Name	ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3
InChI Key	AIQMFFCWDAIGNV-UHFFFAOYSA-N
MDL Number	MFCD13194811
Molecular Formula	C18H21NO4S
Molecular Weight	347.4286
SMILES	O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C=O)=C2)S1)OCC
Synonyms	161798-03-4, Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, febuxostat impurity 2, AK-39091, Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, 5-Thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester, Q-103513, 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester, 2-(3-formyl-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester, 5-Thiazolecarboxylicacid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester, AIQMFFCWDAIGNV-UHFFFAOYSA-N, 2-(3-formyl, SCHEMBL457516, CTK4D0963, KS-00000HZB, DTXSID90447849, ACT06264, BCP23185, ANW-44769, CE-699, MFCD13194811, ZINC39351848, AKOS005145710, AC-5910, AN-6795, QC-6126, RP17958, AS-19561, AB0005333, AJ-100001, AX8162505, DB-037993, TX-011330, 4CH-008824, AM20090756, FT-0659111, ST24030456, Y0387, 798E034, I09-1307, Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, ethyl 2-(3-formyl-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylate, 2-(3-formyl-4-isobutoxyphenyi)-4-methyithiazole-5-carboxylic acid ethyl ester, ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5- CARBOXYLATE, ethyl 2-[3-formyl-4-(2-methyl propoxy)phenyl]-4-methyl-5-thiazolcarboxylate, ethyl-2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate, 5-carboxylato-1-ethyl-2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1h-1$l;{4},3-thiazol-1-yl, C18H21NO4S, ACN-031813, CID10904158, A3589, EC 700-743-7, ethyl 2-(3-formyl-4-iso butoxyphenyl)-4-methylthiazole-5-carboxylate, Ethyl 2-(3-Formyl-4-Isobutoxy Phenyl)-4-Methyl Thiazole-5-Carboxylate, 5-Thiazolecarboxylic acid, 2-(3-formyl-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester, Ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	347.119g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	347.429g/mol
Monoisotopic Mass	347.119g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	93.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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

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