1-Bromooctane

• CAS: 111-83-1
• Catalog Number: ACM111831
• Category: Alkyl
• Molecular Weight: 193.12g/mol
• Molecular Formula: C8H17Br
• IUPAC Name: 1-bromooctane
• Canonical SMILES: CCCCCCCCBr
• InChI: InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
• InChI Key: VMKOFRJSULQZRM-UHFFFAOYSA-N
• Boiling Point: 200.0 °C
• Melting Point: -55.0 °C
• Solubility: 8.65e-06 M
• Complexity: 43.8
• Covalently-Bonded Unit Count: 1
• EC Number: 203-912-9
• Exact Mass: 192.05136g/mol
• Formal Charge: 0
• Hazard Statements: H302
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• LogP: 4.89 (LogP)
• Monoisotopic Mass: 192.05136g/mol
• NSC Number: 9821
• Rotatable Bond Count: 6
• Symbol: GHS07
• UNII: Q382HPC6LC
• Vapor Pressure: 0.38 mmHg
• XLogP3: 4.9

Custom Q&A

What is the molecular formula of 1-Bromooctane?

The molecular formula of 1-Bromooctane is C8H17Br.

What is the molecular weight of 1-Bromooctane?

The molecular weight of 1-Bromooctane is 193.12 g/mol.

What is the IUPAC name of 1-Bromooctane?

The IUPAC name of 1-Bromooctane is 1-bromooctane.

What is the InChI of 1-Bromooctane?

The InChI of 1-Bromooctane is "InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3".

What is the InChIKey of 1-Bromooctane?

The InChIKey of 1-Bromooctane is "VMKOFRJSULQZRM-UHFFFAOYSA-N".

What is the canonical SMILES of 1-Bromooctane?

The canonical SMILES of 1-Bromooctane is "CCCCCCCCBr".

What is the CAS number of 1-Bromooctane?

The CAS number of 1-Bromooctane is 111-83-1.

What is the XLogP3 value of 1-Bromooctane?

The XLogP3 value of 1-Bromooctane is 4.9.

How many rotatable bonds does 1-Bromooctane have?

1-Bromooctane has 6 rotatable bonds.

Is 1-Bromooctane a canonicalized compound?

Yes, 1-Bromooctane is a canonicalized compound.