methyl 2-bromo-5-methyl-1,3-oxazole-4-carboxylate

methyl 2-bromo-5-methyl-1,3-oxazole-4-carboxylate

CAS: 1824354-74-6

Formula: C6H6BrNO3

SMILES: COC(=O)C1=C(C)OC(Br)=N1

IUPAC: methyl 2-bromo-5-methyl-1,3-oxazole-4-carboxylate

InChI: InChI=1S/C6H6BrNO3/c1-3-4(5(9)10-2)8-6(7)11-3/h1-2H3

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	RWAZPKBOODFWRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.2
Topological Polar Surface Area	52.33
Polarizability	15.84
Ring Count	1
Rotatable Bond Count	2

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