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tert-butyl 2,5-dichloropyridine-3-carboxylate

tert-butyl 2,5-dichloropyridine-3-carboxylate

CAS: 2089378-26-5

Formula: C10H11Cl2NO2

SMILES: CC(C)(C)OC(=O)C1=CC(Cl)=CN=C1Cl

IUPAC: tert-butyl 2,5-dichloropyridine-3-carboxylate

InChI: InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,1-3H3

Composition: C (48.41%), H (4.47%), Cl (28.58%), N (5.65%), O (12.90%)

Molar Mass: 248.1

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.016684
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UKGYQNVGBHMGOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.4
Topological Polar Surface Area 39.19
Polarizability 23.3
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2089378-26-5 $20.18-$141.23$20.18$44.14$141.23
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