methyl 2-bromo-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

methyl 2-bromo-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

CAS: 365996-71-0

Formula: C8H8BrNO4S

SMILES: COC(=O)CC1=C(SC(Br)=N1)C(=O)OC

IUPAC: methyl 2-bromo-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C8H8BrNO4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3

Composition: C (32.67%), H (2.74%), Br (27.17%), N (4.76%), O (21.76%), S (10.90%)

Molar Mass: 294.12

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.935742
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FMLBJOMKVCNUEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.41
Topological Polar Surface Area	65.49
Polarizability	22.19
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	365996-71-0		$22.70-$104.66$22.70$40.35$104.66