4-Pentylbromobenzene

• CAS: 51554-95-1
• Catalog Number: ACM51554951
• Category: Bromine Series
• Molecular Weight: 227.14g/mol
• Molecular Formula: C11H15Br
• IUPAC Name: 1-bromo-4-pentylbenzene
• Canonical SMILES: CCCCCC1=CC=C(C=C1)Br
• InChI: InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
• InChI Key: SGCJPYYTVBHQGE-UHFFFAOYSA-N
• Complexity: 104
• Covalently-Bonded Unit Count: 1
• EC Number: 472-220-9;610-687-4
• Exact Mass: 226.03571g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 226.03571g/mol
• RIDADR: UN 3265 8 / PGII
• Rotatable Bond Count: 4
• Symbol: GHS07
• XLogP3: 4.8

Custom Q&A

What is the PubChem CID of 4-Pentylbromobenzene?

PubChem CID 2735599.

What is the molecular formula of 4-Pentylbromobenzene?

The molecular formula is C11H15Br.

What are some synonyms of 4-Pentylbromobenzene?

Some synonyms include 1-Bromo-4-pentylbenzene, 4-bromo-n-pentylbenzene, and 4-n-amylbromobenzene.

What is the molecular weight of 4-Pentylbromobenzene?

The molecular weight is 227.14 g/mol.

What is the IUPAC name of 4-Pentylbromobenzene?

The IUPAC name is 1-bromo-4-pentylbenzene.

What is the InChI of 4-Pentylbromobenzene?

The InChI is InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3.

What is the InChIKey of 4-Pentylbromobenzene?

The InChIKey is SGCJPYYTVBHQGE-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Pentylbromobenzene?

The canonical SMILES is CCCCCC1=CC=C(C=C1)Br.

What is the CAS number of 4-Pentylbromobenzene?

The CAS number is 51554-95-1.

Is 4-Pentylbromobenzene a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.