4'-Bromovalerophenone

• CAS: 7295-44-5
• Catalog Number: ACM7295445
• Category: Other Products
• Molecular Weight: 241.12g/mol
• Molecular Formula: C11H13BrO
• IUPAC Name: 1-(4-bromophenyl)pentan-1-one
• Canonical SMILES: CCCCC(=O)C1=CC=C(C=C1)Br
• InChI: InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
• InChI Key: STYJKBMRWQQJIS-UHFFFAOYSA-N
• Complexity: 160
• Covalently-Bonded Unit Count: 1
• EC Number: 230-729-1
• Exact Mass: 240.01498g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Monoisotopic Mass: 240.01498g/mol
• NSC Number: 76560
• Rotatable Bond Count: 4
• XLogP3: 3.7