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5-bromo-2-methoxypyridine-3-carbaldehyde

5-bromo-2-methoxypyridine-3-carbaldehyde

CAS: 103058-87-3

Formula: C7H6BrNO2

SMILES: COC1=NC=C(Br)C=C1C=O

IUPAC: 5-bromo-2-methoxypyridine-3-carbaldehyde

InChI: InChI=1S/C7H6BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.958191
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VRNOWEKCASDTFG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.88
Topological Polar Surface Area 39.19
Polarizability 16.83
Ring Count 1
Rotatable Bond Count 2

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