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tert-butyl 4,6-dichloropyridine-3-carboxylate

tert-butyl 4,6-dichloropyridine-3-carboxylate

CAS: 1956321-27-9

Formula: C10H11Cl2NO2

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

IUPAC: tert-butyl 4,6-dichloropyridine-3-carboxylate

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