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1-(3-bromo-4-chlorophenyl)pentan-1-one

1-(3-bromo-4-chlorophenyl)pentan-1-one

CAS: 1280786-92-6

Formula: C11H12BrClO

SMILES: CCCCC(=O)C1=CC=C(Cl)C(Br)=C1

IUPAC: 1-(3-bromo-4-chlorophenyl)pentan-1-one

InChI: InChI=1S/C11H12BrClO/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h5-7H,2-4H2,1H3

Composition: C (47.94%), H (4.39%), Br (29.00%), Cl (12.86%), O (5.81%)

Molar Mass: 275.57

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 273.976006
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NXNAFGXGZHYVRW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.72
Topological Polar Surface Area 17.07
Polarizability 24.28
Ring Count 1
Rotatable Bond Count 4

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