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4-(4-bromophenyl)-2-methylpyridine-3-carbonitrile

4-(4-bromophenyl)-2-methylpyridine-3-carbonitrile

CAS: 881423-31-0

Formula: C13H9BrN2

SMILES: CC1=NC=CC(C2=CC=C(Br)C=C2)=C1C#N

IUPAC: 4-(4-bromophenyl)-2-methylpyridine-3-carbonitrile

InChI: InChI=1S/C13H9BrN2/c1-9-13(8-15)12(6-7-16-9)10-2-4-11(14)5-3-10/h2-7H,1H3

Composition: C (57.17%), H (3.32%), Br (29.25%), N (10.26%)

Molar Mass: 273.133

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.994911
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IGZDAZIQGARTNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.97
Topological Polar Surface Area 36.68
Polarizability 26.64
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 881423-31-0 $58.65-$232.30$58.65$232.30
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