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

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

CAS: 180851-50-7

Formula: C16H25NO5S

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

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

InChI: InChI=1S/C16H25NO5S/c1-13-7-9-14(10-8-13)23(19,20)21-12-6-5-11-17-15(18)22-16(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)

Composition: C (55.96%), H (7.34%), N (4.08%), O (23.29%), S (9.34%)

Molar Mass: 343.44

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 343.145344083
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WBSGGWFVABZVGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.54
Topological Polar Surface Area 81.7
Polarizability 35.43
Ring Count 1
Rotatable Bond Count 9

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