AG0005DR

1017452-64-0 | 4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-

AG0005DR

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CAS Number	1017452-64-0
Catalog Number	AG0005DR(AGN-PC-04GIQ9)
Chemical Name	4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-
IUPAC Name	2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid
InChI	InChI=1S/C10H5F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)
InChI Key	OTYUISIBOBUOEO-UHFFFAOYSA-N
MDL Number	MFCD07376377
Molecular Formula	C10H5F2NO2S
Molecular Weight	241.2140
SMILES	OC(C1N=C(C2=C(F)C=CC=C2F)SC=1)=O
Synonyms	2-(2,6-Difluorophenyl)thiazole-4-carboxylic acid, 1017452-64-0, 2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid, 4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-, SCHEMBL319326, DTXSID00640662, OTYUISIBOBUOEO-UHFFFAOYSA-N, AC1Q7421, MFCD07376377, ZINC11760894, AKOS009309736, NE25909, AJ-60116, AM807641, AS-49997, DA-19114, FT-0769525, Y5849, EN300-64659, 4-Thiazolecarboxylicacid,2-(2,6-difluorophenyl)-, Z1946235605, 2-(2,6-Difluorophenyl)-1,3-thiazole-4-carboxylic acid, AldrichCPR, C10H5F2NO2S, 2-(2,6-Difluorophenyl)thiazole-4-carboxylicacid,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.212g/mol
Monoisotopic Mass	241.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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