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tert-butyl N-[(4-methanesulfonylphenyl)methyl]carbamate

tert-butyl N-[(4-methanesulfonylphenyl)methyl]carbamate

CAS: 694480-96-1

Formula: C13H19NO4S

SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)S(C)(=O)=O

IUPAC: tert-butyl N-[(4-methanesulfonylphenyl)methyl]carbamate

InChI: InChI=1S/C13H19NO4S/c1-13(2,3)18-12(15)14-9-10-5-7-11(8-6-10)19(4,16)17/h5-8H,9H2,1-4H3,(H,14,15)

Composition: C (54.72%), H (6.71%), N (4.91%), O (22.43%), S (11.24%)

Molar Mass: 285.36

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.10347927
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GJMNGNDEJDAWCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.41
Topological Polar Surface Area 72.47
Polarizability 29.29
Ring Count 1
Rotatable Bond Count 5

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