1-Bromo-4-methoxy-2,5-dimethylbenzene

• CAS: 58106-25-5
• Catalog Number: ACM58106255
• Category: Ethers
• Molecular Weight: 215.09
• Molecular Formula: C₉H₁₀O₅
• Synonyms: 1-Bromo-4-methoxy-2,5-dimethylbenzene, 4-Bromo-2,5-dimethylanisole, 58106-25-5, ZINC02382996, ACMC-20aowt, AC1MBLG8, SureCN5859293, 519626_ALDRICH, CTK6J5421, MolPort-003-661-851, AKOS004907335, AG-L-58190, AG-L-63013, KB-86207, C-5958, I01-17155
• IUPAC Name: 1-bromo-4-methoxy-2,5-dimethylbenzene
• Canonical SMILES: CC1=CC(=C(C=C1Br)C)OC
• InChI Key: YSSZMKUHFOKNPD-UHFFFAOYSA-N
• Boiling Point: 250ºC at 760mmHg
• Melting Point: 34-38ºC(lit.)
• Flash Point: >110ºC
• Density: 1.326g/cm³
• Exact Mass: 213.99900
• Hazard Statements: H302-H412
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The molecular formula is C9H11BrO.

What is the molecular weight of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The molecular weight is 215.09 g/mol.

What is the IUPAC name of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The IUPAC name is 1-bromo-4-methoxy-2,5-dimethylbenzene.

What is the InChI of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The InChI is InChI=1S/C9H11BrO/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5H,1-3H3.

What is the InChIKey of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The InChIKey is YSSZMKUHFOKNPD-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The canonical SMILES is CC1=CC(=C(C=C1Br)C)OC.

What is the CAS number of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The CAS number is 58106-25-5.

What is the XLogP3-AA value of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The XLogP3-AA value is 3.3.

How many hydrogen bond acceptor count does 1-Bromo-4-methoxy-2,5-dimethylbenzene have?

It has 1 hydrogen bond acceptor count.

How many rotatable bond count does 1-Bromo-4-methoxy-2,5-dimethylbenzene have?

It has 1 rotatable bond count.