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5-bromo-4-(but-3-en-1-yl)pyrimidine

5-bromo-4-(but-3-en-1-yl)pyrimidine

Formula: C8H9BrN2

SMILES: BrC1=CN=CN=C1CCC=C

IUPAC: 5-bromo-4-(but-3-en-1-yl)pyrimidine

InChI: InChI=1S/C8H9BrN2/c1-2-3-4-8-7(9)5-10-6-11-8/h2,5-6H,1,3-4H2

Composition: C (45.10%), H (4.26%), Br (37.50%), N (13.15%)

Molar Mass: 213.078

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.994911
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HKIWBFYKJXBMOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.81
Topological Polar Surface Area 25.78
Polarizability 18.39
Ring Count 1
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C8H9BrN2 Quote Only