What is the molecular formula of 1,3-Dichloroisoquinoline?
The molecular formula of 1,3-Dichloroisoquinoline is C9H5Cl2N.
When was the structure of 1,3-Dichloroisoquinoline created and last modified?
The structure was created on 2005-03-26 and last modified on 2023-12-30.
What is the molecular weight of 1,3-Dichloroisoquinoline?
The molecular weight is 198.05 g/mol.
What is the IUPAC name of 1,3-Dichloroisoquinoline?
The IUPAC name is 1,3-dichloroisoquinoline.
What is the Canonical SMILES representation of 1,3-Dichloroisoquinoline?
The Canonical SMILES representation is C1=CC=C2C(=C1)C=C(N=C2Cl)Cl.
What is the InChIKey of 1,3-Dichloroisoquinoline?
The InChIKey is BRGZEQXWZWBPJH-UHFFFAOYSA-N.
What is the CAS number of 1,3-Dichloroisoquinoline?
The CAS number is 7742-73-6.
What is the XLogP3-AA value of 1,3-Dichloroisoquinoline?
The XLogP3-AA value is 4.
How many hydrogen bond donor counts does 1,3-Dichloroisoquinoline have?
It has 0 hydrogen bond donor counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.