4-Bromophenetole

• CAS: 588-96-5
• Catalog Number: ACM588965
• Category: Bromine Series
• Molecular Weight: 201.06g/mol
• Molecular Formula: C8H9BrO
• IUPAC Name: 1-bromo-4-ethoxybenzene
• Canonical SMILES: CCOC1=CC=C(C=C1)Br
• InChI: InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
• InChI Key: WVUYYXUATWMVIT-UHFFFAOYSA-N
• Boiling Point: 231.0 °C
• Melting Point: 4.0 °C
• Complexity: 87.3
• Covalently-Bonded Unit Count: 1
• EC Number: 209-629-7
• Exact Mass: 199.98368g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 199.98368g/mol
• NSC Number: 8053
• Rotatable Bond Count: 2
• UNII: T0L17BX1WR
• XLogP3: 2.9

Custom Q&A

What is the molecular formula of 4-Bromophenetole?

The molecular formula of 4-Bromophenetole is C8H9BrO.

What is the molecular weight of 4-Bromophenetole?

The molecular weight of 4-Bromophenetole is 201.06 g/mol.

What is the IUPAC name of 4-Bromophenetole?

The IUPAC name of 4-Bromophenetole is 1-bromo-4-ethoxybenzene.

What is the InChI of 4-Bromophenetole?

The InChI of 4-Bromophenetole is InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3.

What is the InChIKey of 4-Bromophenetole?

The InChIKey of 4-Bromophenetole is WVUYYXUATWMVIT-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromophenetole?

The canonical SMILES of 4-Bromophenetole is CCOC1=CC=C(C=C1)Br.

What is the CAS number of 4-Bromophenetole?

The CAS number of 4-Bromophenetole is 588-96-5.

What is the XLogP3 value of 4-Bromophenetole?

The XLogP3 value of 4-Bromophenetole is 2.9.

What is the hydrogen bond donor count of 4-Bromophenetole?

The hydrogen bond donor count of 4-Bromophenetole is 0.

Is 4-Bromophenetole a canonicalized compound?

Yes, 4-Bromophenetole is a canonicalized compound.