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[2-(2-methoxy-4-nitrophenyl)ethynyl]trimethylsilane

[2-(2-methoxy-4-nitrophenyl)ethynyl]trimethylsilane

CAS: 1644249-94-4

Formula: C12H15NO3Si

SMILES: COC1=CC(=CC=C1C#C[Si](C)(C)C)[N+]([O-])=O

IUPAC: [2-(2-methoxy-4-nitrophenyl)ethynyl]trimethylsilane

InChI: InChI=1S/C12H15NO3Si/c1-16-12-9-11(13(14)15)6-5-10(12)7-8-17(2,3)4/h5-6,9H,1-4H3

Composition: C (57.81%), H (6.06%), N (5.62%), O (19.25%), Si (11.26%)

Molar Mass: 249.341

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.082119882
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KTLUZKDHFOEOKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.08
Topological Polar Surface Area 52.37
Polarizability 25.76
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1644249-94-4 $227.70-$1,607.70$227.70$457.70$802.70$1,607.70
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