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tert-butyl N-{4-bromo-2-[(tert-butoxycarbonyl)amino]phenyl}carbamate

tert-butyl N-{4-bromo-2-[(tert-butoxycarbonyl)amino]phenyl}carbamate

CAS: 471239-60-8

Formula: C16H23BrN2O4

SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-(4-bromo-2-{[(tert-butoxy)carbonyl]amino}phenyl)carbamate

InChI: InChI=1S/C16H23BrN2O4/c1-15(2,3)22-13(20)18-11-8-7-10(17)9-12(11)19-14(21)23-16(4,5)6/h7-9H,1-6H3,(H,18,20)(H,19,21)

Composition: C (49.62%), H (5.99%), Br (20.63%), N (7.23%), O (16.52%)

Molar Mass: 387.274

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 386.08412
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LJKCSTXFYRULGQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.27
Topological Polar Surface Area 76.66
Polarizability 35.39
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
98% <10 Days 471239-60-8 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 471239-60-8 $81.97-$370.73$81.97$137.45$370.73
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