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N-(4-bromophenyl)-2-cyano-3-(pyridin-3-yl)propanamide

N-(4-bromophenyl)-2-cyano-3-(pyridin-3-yl)propanamide

CAS: 483359-41-7

Formula: C15H12BrN3O

SMILES: BrC1=CC=C(NC(=O)C(CC2=CN=CC=C2)C#N)C=C1

IUPAC: N-(4-bromophenyl)-2-cyano-3-(pyridin-3-yl)propanamide

InChI: InChI=1/C15H12BrN3O/c16-13-3-5-14(6-4-13)19-15(20)12(9-17)8-11-2-1-7-18-10-11/h1-7,10,12H,8H2,(H,19,20)

Composition: C (54.56%), H (3.66%), Br (24.20%), N (12.73%), O (4.85%)

Molar Mass: 330.185

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 329.016375
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YYWRHBKOHFMBFD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.98
Topological Polar Surface Area 65.78
Polarizability 30.2
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 483359-41-7 $51.35-$86.31$51.35$63.37$86.31
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