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ethyl 6-(2-chloropyridin-3-yl)-6-oxohexanoate

ethyl 6-(2-chloropyridin-3-yl)-6-oxohexanoate

CAS: 890100-57-9

Formula: C13H16ClNO3

SMILES: CCOC(=O)CCCCC(=O)C1=CC=CN=C1Cl

IUPAC: ethyl 6-(2-chloropyridin-3-yl)-6-oxohexanoate

InChI: InChI=1S/C13H16ClNO3/c1-2-18-12(17)8-4-3-7-11(16)10-6-5-9-15-13(10)14/h5-6,9H,2-4,7-8H2,1H3

Composition: C (57.89%), H (5.98%), Cl (13.14%), N (5.19%), O (17.79%)

Molar Mass: 269.73

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.0818711
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BPHICZTWHFSTKX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.78
Topological Polar Surface Area 56.26
Polarizability 26.97
Ring Count 1
Rotatable Bond Count 8

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Purity (%)
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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 890100-57-9 $798.10-$2,342.55$798.10$1,177.60$2,342.55
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