CAS
948290-97-9 Purity
96%
948290-97-9 Purity
96%
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2-Chloro-3-chloromethyl-6-fluoroquinoline
CAS
948291-04-1
Catalog Number
ACM948291041
Category
Other Products
Molecular Weight
230.07
Molecular Formula
C10H6Cl2FN
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Specification
Synonyms
2-Chloro-3-chloromethyl-6-fluoroquinoline, 948291-04-1, AGN-PC-01A9JW, CTK8E3892, ZINC11985087, AKOS009308029, AB51925, 2-chloro-3-(chloromethyl)-6-fluoroquinoline
IUPAC Name
2-chloro-3-(chloromethyl)-6-fluoroquinoline
SMILES
C1=CC2=NC(=C(C=C2C=C1F)CCl)Cl
InChI Key
FGCUGCAEAHOYBW-UHFFFAOYSA-N
Boiling Point
335.7ºC at 760 mmHg
Flash Point
156.8ºC
Density
1.432g/cm³
Exact Mass
228.98600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The molecular formula of 2-Chloro-3-chloromethyl-6-fluoroquinoline is C10H6Cl2FN.
What is the molecular weight of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The molecular weight of 2-Chloro-3-chloromethyl-6-fluoroquinoline is 230.06 g/mol.
What is the IUPAC name of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The IUPAC name of 2-Chloro-3-chloromethyl-6-fluoroquinoline is 2-chloro-3-(chloromethyl)-6-fluoroquinoline.
What is the Canonical SMILES notation of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The Canonical SMILES notation of 2-Chloro-3-chloromethyl-6-fluoroquinoline is C1=CC2=NC(=C(C=C2C=C1F)CCl)Cl.
What is the InChIKey of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The InChIKey of 2-Chloro-3-chloromethyl-6-fluoroquinoline is FGCUGCAEAHOYBW-UHFFFAOYSA-N.
What is the XLogP3-AA value of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The XLogP3-AA value of 2-Chloro-3-chloromethyl-6-fluoroquinoline is 3.6.
How many hydrogen bond acceptors are present in 2-Chloro-3-chloromethyl-6-fluoroquinoline?
There are 2 hydrogen bond acceptors present in 2-Chloro-3-chloromethyl-6-fluoroquinoline.
What is the topological polar surface area of 2-Chloro-3-chloromethyl-6-fluoroquinoline?
The topological polar surface area of 2-Chloro-3-chloromethyl-6-fluoroquinoline is 12.9 Å^2.
Does 2-Chloro-3-chloromethyl-6-fluoroquinoline have any defined atom stereocenters?
No, 2-Chloro-3-chloromethyl-6-fluoroquinoline does not have any defined atom stereocenters.
Is 2-Chloro-3-chloromethyl-6-fluoroquinoline a canonicalized compound?
Yes, 2-Chloro-3-chloromethyl-6-fluoroquinoline is a canonicalized compound.
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