5-Bromo-2-methoxytoluene

• CAS: 14804-31-0
• Catalog Number: ACM14804310
• Category: Bromine Series
• Molecular Weight: 201.06
• Molecular Formula: C8H9 Br O
• Synonyms: 4-Bromo-2-methylanisole, 5-Bromo-2-methoxytoluene, 4-Bromo-1-methoxy-2-methylbenzene, 14804-31-0, Benzene, 4-bromo-1-methoxy-2-methyl-, ST50408668, ZINC00403409, ACMC-1CFEJ, SureCN81131, AC1LCX90, AC1Q49HI, KSC494I0J, 523054_ALDRICH, CTK3J4404, UDLRGQOHGYWLCS-UHFFFAOYSA-, MolPort-000-160-214, ACT08087, ANW-21107, AKOS009159159, AG-D-93454
• IUPAC Name: 4-bromo-1-methoxy-2-methylbenzene
• Canonical SMILES: CC1=C(C=CC(=C1)Br)OC
• InChI Key: UDLRGQOHGYWLCS-UHFFFAOYSA-N
• EC Number: 604-620-8
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 5-Bromo-2-methoxytoluene?

The molecular formula of 5-Bromo-2-methoxytoluene is C8H9BrO.

What is the molecular weight of 5-Bromo-2-methoxytoluene?

The molecular weight of 5-Bromo-2-methoxytoluene is 201.06 g/mol.

What is the IUPAC name of 5-Bromo-2-methoxytoluene?

The IUPAC name of 5-Bromo-2-methoxytoluene is 4-bromo-1-methoxy-2-methylbenzene.

What is the InChI of 5-Bromo-2-methoxytoluene?

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

What is the InChIKey of 5-Bromo-2-methoxytoluene?

The InChIKey of 5-Bromo-2-methoxytoluene is UDLRGQOHGYWLCS-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-methoxytoluene?

The canonical SMILES of 5-Bromo-2-methoxytoluene is CC1=C(C=CC(=C1)Br)OC.

What is the CAS number of 5-Bromo-2-methoxytoluene?

The CAS number of 5-Bromo-2-methoxytoluene is 14804-31-0.

What is the XLogP3 value of 5-Bromo-2-methoxytoluene?

The XLogP3 value of 5-Bromo-2-methoxytoluene is 3.5.

Does 5-Bromo-2-methoxytoluene have any hydrogen bond donor count?

No, 5-Bromo-2-methoxytoluene does not have any hydrogen bond donor count.

How many rotatable bond counts does 5-Bromo-2-methoxytoluene have?

5-Bromo-2-methoxytoluene has 1 rotatable bond count.