3-Chloro-5-hydroxy-benzonitrile

• Catalog Number: ACM473923976
• Product Name: 3-Chloro-5-hydroxy-benzonitrile
• CAS: 473923-97-6
• Category: Heterocyclic Organic Compound
• Synonyms: Benzonitrile, 3-chloro-5-hydroxy-
• IUPAC Name: 3-chloro-5-hydroxybenzonitrile
• Molecular Weight: 153.57
• Molecular Formula: C7H4ClNO
• Canonical SMILES: C1=C(C=C(C=C1O)Cl)C#N
• InChI: InChI=1S/C7H4ClNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H
• InChI Key: GHYUOOZZOMUNSY-UHFFFAOYSA-N
• Boiling Point: 265.4±25.0 °C
• Melting Point: 168-172 °C
• Density: 1.41±0.1 g/ml
• Supplemental Hazard Statements: H302-H315-H319
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Chloro-5-hydroxy-benzonitrile?

The molecular formula of 3-Chloro-5-hydroxy-benzonitrile is C7H4ClNO.

When was 3-Chloro-5-hydroxy-benzonitrile first created?

3-Chloro-5-hydroxy-benzonitrile was first created on December 5, 2007.

What is the molecular weight of 3-Chloro-5-hydroxy-benzonitrile?

The molecular weight of 3-Chloro-5-hydroxy-benzonitrile is 153.56 g/mol.

What is the InChI key of 3-Chloro-5-hydroxy-benzonitrile?

The InChI key of 3-Chloro-5-hydroxy-benzonitrile is GHYUOOZZOMUNSY-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-Chloro-5-hydroxy-benzonitrile have?

3-Chloro-5-hydroxy-benzonitrile has 1 hydrogen bond donor count.

What is the XLogP3 value of 3-Chloro-5-hydroxy-benzonitrile?

The XLogP3 value of 3-Chloro-5-hydroxy-benzonitrile is 2.7.

How many hydrogen bond acceptors does 3-Chloro-5-hydroxy-benzonitrile have?

3-Chloro-5-hydroxy-benzonitrile has 2 hydrogen bond acceptors.

What is the topological polar surface area of 3-Chloro-5-hydroxy-benzonitrile?

The topological polar surface area of 3-Chloro-5-hydroxy-benzonitrile is 44 ².

How many rotatable bond counts does 3-Chloro-5-hydroxy-benzonitrile have?

3-Chloro-5-hydroxy-benzonitrile has 0 rotatable bond counts.

Is 3-Chloro-5-hydroxy-benzonitrile a canonicalized compound according to PubChem?

Yes, 3-Chloro-5-hydroxy-benzonitrile is a canonicalized compound according to PubChem.