tert-butyl N-(4-bromophenyl)-N-methylcarbamate

• ChemBase ID: 309309
• Molecular Formular: C12H16BrNO2
• Molecular Mass: 286.16494
• Monoisotopic Mass: 285.03644076
• SMILES: C(=O)(N(c1ccc(cc1)Br)C)OC(C)(C)C
• Canonical SMILES: CN(c1ccc(cc1)Br)C(=O)OC(C)(C)C
• InChI: InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10/h5-8H,1-4H3
• InChIKey: MUCSVQRHNPYUIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(4-bromophenyl)-N-methylcarbamate
• IUPAC Traditional name: tert-butyl N-(4-bromophenyl)-N-methylcarbamate
• Synonyms: tert-butyl (4-bromophenyl)methylcarbamate

Database IDs

• CAS Number: 639520-70-0
• MDL Number: MFCD12913712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5170255
• LogD (pH = 7.4): 3.5170257
• Log P: 3.5170257
• Molar Refractivity: 67.0889 cm^3
• Polarizability: 26.056978 Å^3
• Polar Surface Area: 29.54 Å^2