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tert-butyl N-(2-amino-4-iodophenyl)carbamate

tert-butyl N-(2-amino-4-iodophenyl)carbamate

CAS: 335255-25-9

Formula: C11H15IN2O2

SMILES: CC(C)(C)OC(=O)NC1=CC=C(I)C=C1N

IUPAC: tert-butyl N-(2-amino-4-iodophenyl)carbamate

InChI: InChI=1S/C11H15IN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)

Composition: C (39.54%), H (4.52%), I (37.98%), N (8.38%), O (9.58%)

Molar Mass: 334.157

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 334.01782
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PUWYOTQFCZWBLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.41
Topological Polar Surface Area 64.35
Polarizability 27.76
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 335255-25-9 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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