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6-bromo-3-methoxypyridine-2-carbaldehyde

6-bromo-3-methoxypyridine-2-carbaldehyde

CAS: 945954-95-0

Formula: C7H6BrNO2

SMILES: COC1=CC=C(Br)N=C1C=O

IUPAC: 6-bromo-3-methoxypyridine-2-carbaldehyde

InChI: InChI=1S/C7H6BrNO2/c1-11-6-2-3-7(8)9-5(6)4-10/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 ATJHFXRPMHJWAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.03
Topological Polar Surface Area 39.19
Polarizability 16.88
Ring Count 1
Rotatable Bond Count 2

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