CAS
942-56-3 Purity
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942-56-3 Purity
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8-(Bromomethyl)isoquinoline
CAS
942579-56-8
Catalog Number
ACM942579568
Category
Other Products
Molecular Weight
222.08
Molecular Formula
C10H8BrN
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Specification
Synonyms
8-Bromomethylisoquinoline;
IUPAC Name
8-(bromomethyl)isoquinoline;hydrobromide
Canonical SMILES
C1=CC2=C(C=NC=C2)C(=C1)CBr
InChI Key
XJXWIHGLONBFLI-UHFFFAOYSA-N
Boiling Point
337.3ºC at 760 mmHg
Flash Point
157.8ºC
Density
1.518g/cm³
Exact Mass
300.91000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 8-(Bromomethyl)isoquinoline?
The molecular formula of 8-(Bromomethyl)isoquinoline is C10H8BrN.
When was 8-(Bromomethyl)isoquinoline first created in PubChem?
8-(Bromomethyl)isoquinoline was first created in PubChem on July 21, 2009.
What is the IUPAC name of 8-(Bromomethyl)isoquinoline?
The IUPAC name of 8-(Bromomethyl)isoquinoline is 8-(bromomethyl)isoquinoline.
What is the molecular weight of 8-(Bromomethyl)isoquinoline?
The molecular weight of 8-(Bromomethyl)isoquinoline is 222.08 g/mol.
How many hydrogen bond donor counts are in 8-(Bromomethyl)isoquinoline?
There are 0 hydrogen bond donor counts in 8-(Bromomethyl)isoquinoline.
What is the topological polar surface area of 8-(Bromomethyl)isoquinoline?
The topological polar surface area of 8-(Bromomethyl)isoquinoline is 12.9 Ų.
Is 8-(Bromomethyl)isoquinoline a canonical compound?
Yes, 8-(Bromomethyl)isoquinoline is a canonical compound.
What is the XLogP3-AA value of 8-(Bromomethyl)isoquinoline?
The XLogP3-AA value of 8-(Bromomethyl)isoquinoline is 2.7.
How many rotatable bond counts are there in 8-(Bromomethyl)isoquinoline?
There is 1 rotatable bond count in 8-(Bromomethyl)isoquinoline.
What is the InChIKey of 8-(Bromomethyl)isoquinoline?
The InChIKey of 8-(Bromomethyl)isoquinoline is HMNMLTSJDRYDLV-UHFFFAOYSA-N.
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