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ethyl 2-bromopyridine-4-carboxylate

ethyl 2-bromopyridine-4-carboxylate

CAS: 89978-52-9

Formula: C8H8BrNO2

SMILES: CCOC(=O)C1=CC(Br)=NC=C1

IUPAC: ethyl 2-bromopyridine-4-carboxylate

InChI: InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3

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 SBNQZJXLQLUESH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.14
Topological Polar Surface Area 39.19
Polarizability 18.68
Ring Count 1
Rotatable Bond Count 3

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