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tert-butyl N-(4-methanesulfonyl-2-methoxyphenyl)carbamate

tert-butyl N-(4-methanesulfonyl-2-methoxyphenyl)carbamate

CAS: 2177258-93-2

Formula: C13H19NO5S

SMILES: COC1=C(NC(=O)OC(C)(C)C)C=CC(=C1)S(C)(=O)=O

IUPAC: tert-butyl N-(4-methanesulfonyl-2-methoxyphenyl)carbamate

InChI: InChI=1S/C13H19NO5S/c1-13(2,3)19-12(15)14-10-7-6-9(20(5,16)17)8-11(10)18-4/h6-8H,1-5H3,(H,14,15)

Composition: C (51.81%), H (6.36%), N (4.65%), O (26.54%), S (10.64%)

Molar Mass: 301.36

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 301.09839389
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ATVYDMWDGZCRJI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.82
Topological Polar Surface Area 81.7
Polarizability 29.99
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2177258-93-2 $265.36-$2,830.46$265.36$471.74$943.49$2,830.46
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