4-Chloro-2-methoxybenzyl alcohol

• CAS: 55685-75-1
• Catalog Number: ACM55685751
• Category: Alcohols
• Molecular Weight: 172.61
• Molecular Formula: C₈H₉BrO
• Synonyms: 4-Chloro-2-methoxybenzyl alcohol, 55685-75-1, (4-chloro-2-methoxyphenyl)methanol, Benzenemethanol, 4-chloro-2-methoxy-, (4-chloro-2-methoxy-phenyl)-methanol, 90296-27-8, AC1MTEPS, SureCN1679612, 525715_ALDRICH, CTK3I2247, MolPort-003-935-860, ZINC00403428, AKOS009157244, AS04003, MCULE-2991671516, AK147603, KB-190512, AM20040714, I01-8942, I01-16859
• IUPAC Name: (4-chloro-2-methoxyphenyl)methanol
• Canonical SMILES: COC1=C(C=CC(=C1)Cl)CO
• InChI Key: AXXPZAITCCIOIA-UHFFFAOYSA-N
• Boiling Point: 268.2ºC at 760mmHg
• Melting Point: 47-51ºC(lit.)
• Flash Point: 116ºC
• Density: 1.239g/cm³
• Exact Mass: 172.02900
• Hazard Statements: H226
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 4-Chloro-2-methoxybenzyl alcohol?

The molecular formula of 4-Chloro-2-methoxybenzyl alcohol is C8H9ClO2.

What is the molecular weight of 4-Chloro-2-methoxybenzyl alcohol?

The molecular weight of 4-Chloro-2-methoxybenzyl alcohol is 172.61 g/mol.

What is the IUPAC name of 4-Chloro-2-methoxybenzyl alcohol?

The IUPAC name of 4-Chloro-2-methoxybenzyl alcohol is (4-chloro-2-methoxyphenyl)methanol.

What is the InChI of 4-Chloro-2-methoxybenzyl alcohol?

The InChI of 4-Chloro-2-methoxybenzyl alcohol is InChI=1S/C8H9ClO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3.

What is the InChIKey of 4-Chloro-2-methoxybenzyl alcohol?

The InChIKey of 4-Chloro-2-methoxybenzyl alcohol is AXXPZAITCCIOIA-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4-Chloro-2-methoxybenzyl alcohol?

There is 1 hydrogen bond donor count in 4-Chloro-2-methoxybenzyl alcohol.

What is the XLogP3-AA value of 4-Chloro-2-methoxybenzyl alcohol?

The XLogP3-AA value of 4-Chloro-2-methoxybenzyl alcohol is 1.6.

How many rotatable bond counts are there in 4-Chloro-2-methoxybenzyl alcohol?

There are 2 rotatable bond counts in 4-Chloro-2-methoxybenzyl alcohol.

What is the topological polar surface area of 4-Chloro-2-methoxybenzyl alcohol?

The topological polar surface area of 4-Chloro-2-methoxybenzyl alcohol is 29.5Ų.

Is the compound canonicalized for 4-Chloro-2-methoxybenzyl alcohol?

Yes, the compound is canonicalized for 4-Chloro-2-methoxybenzyl alcohol.