tert-butyl N-(2-acetylphenyl)carbamate

tert-butyl N-(2-acetylphenyl)carbamate

CAS: 314773-77-8

Formula: C13H17NO3

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

IUPAC: tert-butyl N-(2-acetylphenyl)carbamate

InChI: InChI=1S/C13H17NO3/c1-9(15)10-7-5-6-8-11(10)14-12(16)17-13(2,3)4/h5-8H,1-4H3,(H,14,16)

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.120843411
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GSAPPURHQAMLCE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.75
Topological Polar Surface Area	55.4
Polarizability	25.16
Ring Count	1
Rotatable Bond Count	4

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