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4-bromo-N-(4-methylpyridin-2-yl)benzamide

4-bromo-N-(4-methylpyridin-2-yl)benzamide

CAS: 33115-66-1

Formula: C13H11BrN2O

SMILES: CC1=CC(NC(=O)C2=CC=C(Br)C=C2)=NC=C1

IUPAC: 4-bromo-N-(4-methylpyridin-2-yl)benzamide

InChI: InChI=1S/C13H11BrN2O/c1-9-6-7-15-12(8-9)16-13(17)10-2-4-11(14)5-3-10/h2-8H,1H3,(H,15,16,17)

Composition: C (53.63%), H (3.81%), Br (27.44%), N (9.62%), O (5.50%)

Molar Mass: 291.148

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.005476
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IVQUNKATDVSBNW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.41
Topological Polar Surface Area 41.99
Polarizability 26.56
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 33115-66-1 $2,200.00-$3,850.00$2,200.00$2,970.00$3,850.00
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