CAS
912773-18-3 Purity
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912773-18-3 Purity
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1,3-DICHLORO-4-ISOQUINOLINAMINE
CAS
912773-27-4
Catalog Number
ACM912773274
Category
Other Products
Molecular Weight
213.06
Molecular Formula
C9H6Cl2N2
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Specification
Synonyms
1,3-DICHLORO-4-ISOQUINOLINAMINE;4-AMINO-1,3-DICHLOROISOQUINOLINE
IUPAC Name
1,3-dichloroisoquinolin-4-amine
Canonical SMILES
C1=CC=C2C(=C1)C(=C(N=C2Cl)Cl)N
InChI Key
SGDDQFXNPJUGPS-UHFFFAOYSA-N
Exact Mass
211.99100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 1,3-Dichloro-4-Isoquinolinamine?
The molecular formula is C9H6Cl2N2.
When was 1,3-Dichloro-4-Isoquinolinamine created on PubChem?
It was created on October 30, 2011.
What is the IUPAC name of 1,3-Dichloro-4-Isoquinolinamine?
The IUPAC name is 1,3-dichloroisoquinolin-4-amine.
What is the InChI of 1,3-Dichloro-4-Isoquinolinamine?
The InChI is InChI=1S/C9H6Cl2N2/c10-8-6-4-2-1-3-5(6)7(12)9(11)13-8/h1-4H,12H2.
What is the InChIKey of 1,3-Dichloro-4-Isoquinolinamine?
The InChIKey is SGDDQFXNPJUGPS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1,3-Dichloro-4-Isoquinolinamine have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 1,3-Dichloro-4-Isoquinolinamine?
The topological polar surface area is 38.9 Ų.
Is 1,3-Dichloro-4-Isoquinolinamine a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of 1,3-Dichloro-4-Isoquinolinamine?
The exact mass is 211.9908036 g/mol.
How many rotatable bond counts does 1,3-Dichloro-4-Isoquinolinamine have?
It has 0 rotatable bond counts.
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