2-bromotridecane

• ChemBase ID: 112300
• Molecular Formular: C13H27Br
• Molecular Mass: 263.25748
• Monoisotopic Mass: 262.12961286
• SMILES: CCCCCCCCCCCC(C)Br
• Canonical SMILES: CCCCCCCCCCCC(Br)C
• InChI: InChI=1S/C13H27Br/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12H2,1-2H3
• InChIKey: XNCUZDYTCKIDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromotridecane
• IUPAC Traditional name: 2-bromotridecane
• Synonyms: 2-BROMOTRIDECANE; 2-Bromotridecane; 2-溴十三烷

Database IDs

• CAS Number: 59157-17-4
• EC Number: 261-633-8
• MDL Number: MFCD00000151
• PubChem SID: 162097308
• PubChem CID: 98234

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3185334
• LogD (pH = 7.4): 6.3185334
• Log P: 6.3185334
• Molar Refractivity: 69.3962 cm^3
• Polarizability: 27.243204 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C13H27Br

DETAILS

MP Biomedicals - 05223408

MP Biomedicals Rare Chemical collection