9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate

• ChemBase ID: 287253
• Molecular Formular: C17H14ClNO3
• Molecular Mass: 315.75096
• Monoisotopic Mass: 315.06622099
• SMILES: O=C(OCC1c2c(c3c1cccc3)cccc2)NCC(=O)Cl
• Canonical SMILES: ClC(=O)CNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H14ClNO3/c18-16(20)9-19-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,19,21)
• InChIKey: HFWFBOCOXPEKBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
• Synonyms: Fmoc-Gly-Cl

Database IDs

• CAS Number: 103321-49-9
• MDL Number: MFCD00235814
• PubChem SID: 180672784
• PubChem CID: 11758879

CALCULATED PROPERTIES

• Acid pKa: 12.592206
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0098825
• LogD (pH = 7.4): 3.00988
• Log P: 3.0098825
• Molar Refractivity: 83.9417 cm^3
• Polarizability: 33.569946 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%