3-bromo-4-methylpentan-2-one

3-bromo-4-methylpentan-2-one

CAS: 29585-01-1

Formula: C6H11BrO

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

IUPAC: 3-bromo-4-methylpentan-2-one

InChI: InChI=1/C6H11BrO/c1-4(2)6(7)5(3)8/h4,6H,1-3H3

Composition: C (40.25%), H (6.19%), Br (44.62%), O (8.94%)

Molar Mass: 179.057

Atom Count: 19

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	177.999328
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KOYPMEVZVFOCDT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.42
Topological Polar Surface Area	17.07
Polarizability	14.64
Ring Count	0
Rotatable Bond Count	2

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