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tert-butyl N-[(4-methylbenzenesulfonyl)oxy]carbamate

tert-butyl N-[(4-methylbenzenesulfonyl)oxy]carbamate

CAS: 105838-14-0

Formula: C12H17NO5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(4-methylbenzenesulfonyl)oxy]carbamate

InChI: InChI=1S/C12H17NO5S/c1-9-5-7-10(8-6-9)19(15,16)18-13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14)

Composition: C (50.16%), H (5.96%), N (4.87%), O (27.84%), S (11.16%)

Molar Mass: 287.33

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 287.082743825
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WZDPZKPHVNFUKB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.6
Topological Polar Surface Area 81.7
Polarizability 28.11
Ring Count 1
Rotatable Bond Count 5

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 105838-14-0 $38.22$38.22
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97% <2 Days 105838-14-0 $78.20-$3,059.00$78.20$273.70$957.95$3,059.00
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