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tert-butyl N-{1-[(3-chloro-4-fluorophenyl)carbamoyl]ethyl}carbamate

tert-butyl N-{1-[(3-chloro-4-fluorophenyl)carbamoyl]ethyl}carbamate

Formula: C14H18ClFN2O3

SMILES: CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(F)C(Cl)=C1

IUPAC: tert-butyl N-{1-[(3-chloro-4-fluorophenyl)carbamoyl]ethyl}carbamate

InChI: InChI=1/C14H18ClFN2O3/c1-8(17-13(20)21-14(2,3)4)12(19)18-9-5-6-11(16)10(15)7-9/h5-8H,1-4H3,(H,17,20)(H,18,19)

Composition: C (53.09%), H (5.73%), Cl (11.19%), F (6.00%), N (8.84%), O (15.15%)

Molar Mass: 316.76

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 316.0989983
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XACNOHYJKZQPRM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.67
Topological Polar Surface Area 67.43
Polarizability 29.85
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H18ClFN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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