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tert-butyl 2-fluoro-5-nitrobenzoate

tert-butyl 2-fluoro-5-nitrobenzoate

CAS: 526218-22-4

Formula: C11H12FNO4

SMILES: CC(C)(C)OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O

IUPAC: tert-butyl 2-fluoro-5-nitrobenzoate

InChI: InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)8-6-7(13(15)16)4-5-9(8)12/h4-6H,1-3H3

Composition: C (54.77%), H (5.01%), F (7.88%), N (5.81%), O (26.53%)

Molar Mass: 241.218

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.075036033
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KTDUZCFVCPSEOM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.43
Topological Polar Surface Area 69.44
Polarizability 21.95
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 526218-22-4 $227.70-$1,147.70$227.70$342.70$1,147.70
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