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tert-butyl N-[(4-fluoro-3-nitrophenyl)methyl]carbamate

tert-butyl N-[(4-fluoro-3-nitrophenyl)methyl]carbamate

CAS: 885280-67-1

Formula: C12H15FN2O4

SMILES: CC(C)(C)OC(=O)NCC1=CC=C(F)C(=C1)[N+]([O-])=O

IUPAC: tert-butyl N-[(4-fluoro-3-nitrophenyl)methyl]carbamate

InChI: InChI=1S/C12H15FN2O4/c1-12(2,3)19-11(16)14-7-8-4-5-9(13)10(6-8)15(17)18/h4-6H,7H2,1-3H3,(H,14,16)

Composition: C (53.33%), H (5.59%), F (7.03%), N (10.37%), O (23.68%)

Molar Mass: 270.26

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.101585134
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WRMNFPXJSFBABQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.94
Topological Polar Surface Area 81.47
Polarizability 24.96
Ring Count 1
Rotatable Bond Count 5

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95% <6 Days 885280-67-1 $205.85-$878.60$205.85$387.55$878.60
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