4-(difluoromethoxy)-2-methyl-1,3-thiazole-5-carboxylic acid

4-(difluoromethoxy)-2-methyl-1,3-thiazole-5-carboxylic acid

CAS: 851755-45-8

Formula: C6H5F2NO3S

SMILES: CC1=NC(OC(F)F)=C(S1)C(O)=O

IUPAC: 4-(difluoromethoxy)-2-methyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C6H5F2NO3S/c1-2-9-4(12-6(7)8)3(13-2)5(10)11/h6H,1H3,(H,10,11)

Composition: C (34.45%), H (2.41%), F (18.17%), N (6.70%), O (22.95%), S (15.33%)

Molar Mass: 209.17

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.995820525
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AHLHUMOBYBIMTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.53
Topological Polar Surface Area	59.42
Polarizability	14.79
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	851755-45-8		$95.84-$156.36$95.84$156.36