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tert-butyl N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]carbamate

tert-butyl N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]carbamate

CAS: 1450903-42-0

Formula: C14H18FNO2

SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C1=CC=C(F)C=C1

IUPAC: tert-butyl N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]carbamate

InChI: InChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)/t11-,12+/m1/s1

Composition: C (66.91%), H (7.22%), F (7.56%), N (5.57%), O (12.73%)

Molar Mass: 251.301

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 251.132156987
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey SBGQSARUIHMFDY-NEPJUHHUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.79
Topological Polar Surface Area 38.33
Polarizability 25.91
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1450903-42-0 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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