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tert-butyl N-(2-ethynyl-5-fluorophenyl)carbamate

tert-butyl N-(2-ethynyl-5-fluorophenyl)carbamate

CAS: 2354203-12-4

Formula: C13H14FNO2

SMILES: CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C#C

IUPAC: tert-butyl N-(2-ethynyl-5-fluorophenyl)carbamate

InChI: InChI=1S/C13H14FNO2/c1-5-9-6-7-10(14)8-11(9)15-12(16)17-13(2,3)4/h1,6-8H,2-4H3,(H,15,16)

Composition: C (66.37%), H (6.00%), F (8.08%), N (5.95%), O (13.60%)

Molar Mass: 235.258

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.100856858
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XGQADSPSWLDBNN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.74
Topological Polar Surface Area 38.33
Polarizability 23.68
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2354203-12-4 $342.70-$4,597.70$342.70$457.70$572.70$802.70$1,147.70$4,597.70
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