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3-(3-chloropyridin-2-yl)propanal

3-(3-chloropyridin-2-yl)propanal

CAS: 1062054-75-4

Formula: C8H8ClNO

SMILES: ClC1=CC=CN=C1CCC=O

IUPAC: 3-(3-chloropyridin-2-yl)propanal

InChI: InChI=1S/C8H8ClNO/c9-7-3-1-5-10-8(7)4-2-6-11/h1,3,5-6H,2,4H2

Composition: C (56.65%), H (4.75%), Cl (20.90%), N (8.26%), O (9.43%)

Molar Mass: 169.61

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 169.0294416
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZAZCZCHYUMIVLL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.27
Topological Polar Surface Area 29.96
Polarizability 16.93
Ring Count 1
Rotatable Bond Count 3

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