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3-bromooxolan-2-one

3-bromooxolan-2-one

CAS: 5061-21-2

Formula: C4H5BrO2

SMILES: BrC1CCOC1=O

IUPAC: 3-bromooxolan-2-one

InChI: InChI=1/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2

Composition: C (29.12%), H (3.05%), Br (48.43%), O (19.39%)

Molar Mass: 164.986

Atom Count: 12

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 163.947292
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LFJJGHGXHXXDFT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.79
Topological Polar Surface Area 26.3
Polarizability 11.2
Ring Count 1
Rotatable Bond Count 0

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