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methyl 2-chloro-4-[2-(trimethylsilyl)ethynyl]pyridine-3-carboxylate

methyl 2-chloro-4-[2-(trimethylsilyl)ethynyl]pyridine-3-carboxylate

CAS: 470463-44-6

Formula: C12H14ClNO2Si

SMILES: COC(=O)C1=C(C=CN=C1Cl)C#C[Si](C)(C)C

IUPAC: methyl 2-chloro-4-[2-(trimethylsilyl)ethynyl]pyridine-3-carboxylate

InChI: InChI=1S/C12H14ClNO2Si/c1-16-12(15)10-9(5-7-14-11(10)13)6-8-17(2,3)4/h5,7H,1-4H3

Composition: C (53.82%), H (5.27%), Cl (13.24%), N (5.23%), O (11.95%), Si (10.49%)

Molar Mass: 267.78

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 267.0482329
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YXAFNLLWRMATGC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.03
Topological Polar Surface Area 39.19
Polarizability 26.87
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 470463-44-6 $219.25$219.25
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