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ethyl 2-[(tert-butoxycarbonyl)amino]-2-(4-methylbenzenesulfonyl)acetate

ethyl 2-[(tert-butoxycarbonyl)amino]-2-(4-methylbenzenesulfonyl)acetate

CAS: 295365-33-2

Formula: C16H23NO6S

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

IUPAC: ethyl 2-{[(tert-butoxy)carbonyl]amino}-2-(4-methylbenzenesulfonyl)acetate

InChI: InChI=1/C16H23NO6S/c1-6-22-14(18)13(17-15(19)23-16(3,4)5)24(20,21)12-9-7-11(2)8-10-12/h7-10,13H,6H2,1-5H3,(H,17,19)

Composition: C (53.77%), H (6.49%), N (3.92%), O (26.86%), S (8.97%)

Molar Mass: 357.42

Atom Count: 47

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 357.124608639
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZSWXJMOGLQKERG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.19
Topological Polar Surface Area 98.77
Polarizability 35.56
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 295365-33-2 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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