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methyl 4-(bromomethyl)pyridine-2-carboxylate

methyl 4-(bromomethyl)pyridine-2-carboxylate

CAS: 317335-16-3

Formula: C8H8BrNO2

SMILES: COC(=O)C1=CC(CBr)=CC=N1

IUPAC: methyl 4-(bromomethyl)pyridine-2-carboxylate

InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)7-4-6(5-9)2-3-10-7/h2-4H,5H2,1H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.973842
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MAQCMFOLVVSLLK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.4
Topological Polar Surface Area 39.19
Polarizability 18.54
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 317335-16-3 $687.70-$4,597.70$687.70$1,147.70$4,597.70
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