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

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

CAS: 861543-76-2

Formula: C7H8BrNO3

SMILES: COC(=O)CCC1=CC(Br)=NO1

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

InChI: InChI=1S/C7H8BrNO3/c1-11-7(10)3-2-5-4-6(8)9-12-5/h4H,2-3H2,1H3

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	VFGGONYMVBNXJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.67
Topological Polar Surface Area	52.33
Polarizability	17.63
Ring Count	1
Rotatable Bond Count	4

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