4-Chloro-1H-indazole

• CAS: 13096-96-3
• Catalog Number: ACM13096963
• Category: Other
• Molecular Weight: 152.5829
• Molecular Formula: C7H5ClN2
• Synonyms: 4-Chloro-1H-indazole, NSC694315, AIDS151960, AIDS-151960, CB-0825, NSC 694315, NCI60_033767, 13096-96-3
• IUPAC Name: 4-chloro-1H-indazole
• Canonical SMILES: C1=CC2=C(C=NN2)C(=C1)Cl
• InChI Key: CQTGQYVQJOJQCM-UHFFFAOYSA-N
• Boiling Point: 309.5ºC at 760mmHg
• Melting Point: 155-157ºC
• Flash Point: 169.9ºC
• Density: 1.425g/cm³
• Exact Mass: 152.01400
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• MDL Number: MFCD00211065
• Size: 1g,5g,25g

Custom Q&A

What is the molecular formula of 4-Chloro-1H-indazole?

The molecular formula of 4-Chloro-1H-indazole is C7H5ClN2.

What is the molecular weight of 4-Chloro-1H-indazole?

The molecular weight of 4-Chloro-1H-indazole is 152.58 g/mol.

What is the IUPAC name of 4-Chloro-1H-indazole?

The IUPAC name of 4-Chloro-1H-indazole is 4-chloro-1H-indazole.

What is the Canonical SMILES representation of 4-Chloro-1H-indazole?

The Canonical SMILES representation of 4-Chloro-1H-indazole is C1=CC2=C(C=NN2)C(=C1)Cl.

What is the InChIKey of 4-Chloro-1H-indazole?

The InChIKey of 4-Chloro-1H-indazole is CQTGQYVQJOJQCM-UHFFFAOYSA-N.

What is the CAS number of 4-Chloro-1H-indazole?

The CAS number of 4-Chloro-1H-indazole is 13096-96-3.

How many hydrogen bond donor counts does 4-Chloro-1H-indazole have?

4-Chloro-1H-indazole has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Chloro-1H-indazole?

The topological polar surface area of 4-Chloro-1H-indazole is 28.7Ų.

How many rotatable bond counts does 4-Chloro-1H-indazole have?

4-Chloro-1H-indazole has 0 rotatable bond counts.

Is 4-Chloro-1H-indazole a canonicalized compound?

Yes, 4-Chloro-1H-indazole is a canonicalized compound.