3-(3-bromo-1,2-oxazol-5-yl)propanoic acid

3-(3-bromo-1,2-oxazol-5-yl)propanoic acid

CAS: 6567-34-6

Formula: C6H6BrNO3

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

IUPAC: 3-(3-bromo-1,2-oxazol-5-yl)propanoic acid

InChI: InChI=1S/C6H6BrNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)

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	3
Hydrogen Bond Donor Count	1
InChIKey	GGFSCLOKBUSHSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.91
Topological Polar Surface Area	63.33
Polarizability	15.64
Ring Count	1
Rotatable Bond Count	3

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