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1-(3-bromopyridin-2-yl)propan-1-one

1-(3-bromopyridin-2-yl)propan-1-one

CAS: 1564906-03-1

Formula: C8H8BrNO

SMILES: CCC(=O)C1=C(Br)C=CC=N1

IUPAC: 1-(3-bromopyridin-2-yl)propan-1-one

InChI: InChI=1S/C8H8BrNO/c1-2-7(11)8-6(9)4-3-5-10-8/h3-5H,2H2,1H3

Composition: C (44.89%), H (3.77%), Br (37.33%), N (6.54%), O (7.47%)

Molar Mass: 214.062

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.978927
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KKSZEUMHQXPTDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.18
Topological Polar Surface Area 29.96
Polarizability 17.87
Ring Count 1
Rotatable Bond Count 2

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