CAS
953039-25-3 Purity
96%
953039-25-3 Purity
96%
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5-Bromo-8-chloroisoquinoline
CAS
956003-79-5
Catalog Number
ACM956003795
Category
Bromine Series
Molecular Weight
242.5
Molecular Formula
C9H5NBrCl
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Specification
Synonyms
5-BROMO-8-CHLOROISOQUINOLINE
IUPAC Name
5-bromo-8-chloroisoquinoline
Canonical SMILES
C1=CC(=C2C=CN=CC2=C1Cl)Br
InChI Key
RRKXGHIWLJDUIU-UHFFFAOYSA-N
Boiling Point
341.4ºC at 760 mmHg
Flash Point
160.3ºC
Density
1.673g/cm³
Exact Mass
240.92900
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 5-Bromo-8-chloroisoquinoline?
The molecular formula is C9H5BrClN.
What is the molecular weight of 5-Bromo-8-chloroisoquinoline?
The molecular weight is 242.50 g/mol.
What is the CAS number of 5-Bromo-8-chloroisoquinoline?
The CAS number is 956003-79-5.
What is the IUPAC name of 5-Bromo-8-chloroisoquinoline?
The IUPAC name is 5-bromo-8-chloroisoquinoline.
What is the InChIKey of 5-Bromo-8-chloroisoquinoline?
The InChIKey is RRKXGHIWLJDUIU-UHFFFAOYSA-N.
What is the XLogP3-AA value of 5-Bromo-8-chloroisoquinoline?
The XLogP3-AA value is 3.4.
How many hydrogen bond donor count does 5-Bromo-8-chloroisoquinoline have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does 5-Bromo-8-chloroisoquinoline have?
It has 1 hydrogen bond acceptor count.
How many rotatable bond count does 5-Bromo-8-chloroisoquinoline have?
It has 0 rotatable bond count.
What is the topological polar surface area of 5-Bromo-8-chloroisoquinoline?
The topological polar surface area is 12.9Ų.
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