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1-benzoyl-4-(bromomethyl)piperidine

1-benzoyl-4-(bromomethyl)piperidine

CAS: 861021-47-8

Formula: C13H16BrNO

SMILES: BrCC1CCN(CC1)C(=O)C1=CC=CC=C1

IUPAC: 1-benzoyl-4-(bromomethyl)piperidine

InChI: InChI=1S/C13H16BrNO/c14-10-11-6-8-15(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11H,6-10H2

Composition: C (55.33%), H (5.72%), Br (28.32%), N (4.96%), O (5.67%)

Molar Mass: 282.181

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.041527
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DDWPTGQWWYXYBM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.51
Topological Polar Surface Area 20.31
Polarizability 26.14
Ring Count 2
Rotatable Bond Count 2

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95% 1 Day 861021-47-8 $147.42-$265.36$147.42$265.36
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