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tert-butyl N-{[(tert-butoxycarbonyl)amino](trifluoromethanesulfonamido)methylidene}carbamate

tert-butyl N-{[(tert-butoxycarbonyl)amino](trifluoromethanesulfonamido)methylidene}carbamate

CAS: 207857-15-6

Formula: C12H20F3N3O6S

SMILES: CC(C)(C)OC(=O)NC(NS(=O)(=O)C(F)(F)F)=NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-({[(tert-butoxy)carbonyl]amino}(trifluoromethanesulfonamido)methylidene)carbamate

InChI: InChI=1S/C12H20F3N3O6S/c1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15/h1-6H3,(H2,16,17,18,19,20)

Composition: C (36.83%), H (5.15%), F (14.56%), N (10.74%), O (24.53%), S (8.19%)

Molar Mass: 391.36

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 391.102491039
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey GOQZIPJCBUYLIR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.61
Topological Polar Surface Area 123.16
Polarizability 31.39
Ring Count 0
Rotatable Bond Count 5

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 207857-15-6 $115.81-$442.46$115.81$115.81$306.99$306.99$442.46$442.46
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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 207857-15-6 $360.00-$600.00$360.00$600.00
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