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5-bromo-N-ethyl-4-methyl-3-nitropyridin-2-amine

5-bromo-N-ethyl-4-methyl-3-nitropyridin-2-amine

CAS: 1280786-58-4

Formula: C8H10BrN3O2

SMILES: CCNC1=NC=C(Br)C(C)=C1[N+]([O-])=O

IUPAC: 5-bromo-N-ethyl-4-methyl-3-nitropyridin-2-amine

InChI: InChI=1S/C8H10BrN3O2/c1-3-10-8-7(12(13)14)5(2)6(9)4-11-8/h4H,3H2,1-2H3,(H,10,11)

Composition: C (36.94%), H (3.88%), Br (30.72%), N (16.16%), O (12.30%)

Molar Mass: 260.091

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 258.99564
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IBEKEYYPHDLMEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.14
Topological Polar Surface Area 68.06
Polarizability 20.9
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1280786-58-4 $246.10-$1,713.50$246.10$491.05$898.15$1,713.50
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