ethyl 4-bromo-1,3-oxazole-2-carboxylate

ethyl 4-bromo-1,3-oxazole-2-carboxylate

CAS: 1935016-52-6

Formula: C6H6BrNO3

SMILES: CCOC(=O)C1=NC(Br)=CO1

IUPAC: ethyl 4-bromo-1,3-oxazole-2-carboxylate

InChI: InChI=1S/C6H6BrNO3/c1-2-10-6(9)5-8-4(7)3-11-5/h3H,2H2,1H3

Composition: C (32.75%), H (2.75%), Br (36.32%), N (6.37%), O (21.81%)

Molar Mass: 220.022

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.953106
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XYXJAUOWPROTPC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.48
Topological Polar Surface Area	52.33
Polarizability	15.85
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1935016-52-6		$457.70-$9,062.00$457.70$687.70$917.70$1,472.00$2,162.00$9,062.00