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5-bromo-2-ethyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-ethyl-1H-pyrrolo[2,3-b]pyridine

CAS: 1228666-29-2

Formula: C9H9BrN2

SMILES: CCC1=CC2=CC(Br)=CN=C2N1

IUPAC: 5-bromo-2-ethyl-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C9H9BrN2/c1-2-8-4-6-3-7(10)5-11-9(6)12-8/h3-5H,2H2,1H3,(H,11,12)

Composition: C (48.03%), H (4.03%), Br (35.50%), N (12.45%)

Molar Mass: 225.089

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 223.994911
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey LEBUTEDILHIQJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.24
Topological Polar Surface Area 28.68
Polarizability 20.32
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1228666-29-2 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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