(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl acetate

(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl acetate

CAS: 1380089-33-7

Formula: C7H8BrNO3

SMILES: CC(=O)OCC1=C(Br)C(C)=NO1

IUPAC: (4-bromo-3-methyl-1,2-oxazol-5-yl)methyl acetate

InChI: InChI=1S/C7H8BrNO3/c1-4-7(8)6(12-9-4)3-11-5(2)10/h3H2,1-2H3

Composition: C (35.92%), H (3.45%), Br (34.14%), N (5.98%), O (20.51%)

Molar Mass: 234.049

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.968756
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	USGKSLUGKUUZSM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.56
Topological Polar Surface Area	52.33
Polarizability	17.52
Ring Count	1
Rotatable Bond Count	3

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