CAS
948294-27-7 Purity
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948294-27-7 Purity
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2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline
CAS
948294-43-7
Catalog Number
ACM948294437
Category
Other Products
Molecular Weight
254.16
Molecular Formula
C13H13Cl2N
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Specification
Synonyms
2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline, 948294-43-7, AGN-PC-01A9IV, CTK8E3848, ZINC11985626, AB51812
IUPAC Name
2-chloro-3-(2-chloroethyl)-6,8-dimethylquinoline
InChI Key
ZEZMZEDNHJQDNF-UHFFFAOYSA-N
Boiling Point
379.1ºC at 760 mmHg
Flash Point
214.9ºC
Density
1.236g/cm³
Exact Mass
253.04300
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound 2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline?
The molecular formula is C13H13Cl2N.
When was this compound created and last modified?
It was created on 2007-11-13 and last modified on 2023-12-30.
What is the molecular weight of 2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline?
The molecular weight is 254.15 g/mol.
What is the IUPAC name of this compound?
The IUPAC name is 2-chloro-3-(2-chloroethyl)-6,8-dimethylquinoline.
What is the InChI of 2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline?
The InChI is InChI=1S/C13H13Cl2N/c1-8-5-9(2)12-11(6-8)7-10(3-4-14)13(15)16-12/h5-7H,3-4H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is ZEZMZEDNHJQDNF-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline?
The Canonical SMILES is CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)CCCl)C.
How many hydrogen bond donor counts does this compound have?
This compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of 2-Chloro-3-(2-chloroethyl)-6,8-dimethylquinoline?
The topological polar surface area is 12.92.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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