CAS
948294-54-0 Purity
96%
948294-54-0 Purity
96%
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2-Chloro-3-(2-chloroethyl)-8-ethylquinoline
CAS
948294-57-3
Catalog Number
ACM948294573
Category
Other Products
Molecular Weight
254.16
Molecular Formula
C13H13Cl2N
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Specification
Synonyms
2-Chloro-3-(2-chloroethyl)-8-ethylquinoline, 948294-57-3, AGN-PC-01A9J4, CTK8E3857, ZINC11985654, AB51837
IUPAC Name
2-chloro-3-(2-chloroethyl)-8-ethylquinoline
Canonical SMILES
CCC1=CC=CC2=CC(=C(N=C21)Cl)CCCl
InChI Key
GWZHYNCJWIUNMR-UHFFFAOYSA-N
Boiling Point
374.6ºC at 760 mmHg
Flash Point
212.1ºC
Density
1.235g/cm³
Exact Mass
253.04300
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
The molecular formula is C13H13Cl2N.
When was 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline created in PubChem?
It was created on November 13, 2007.
What is the molecular weight of 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
The molecular weight is 254.15 g/mol.
What is the InChI of 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
The InChI is InChI=1S/C13H13Cl2N/c1-2-9-4-3-5-10-8-11(6-7-14)13(15)16-12(9)10/h3-5,8H,2,6-7H2,1H3.
What is the Canonical SMILES representation of 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
The Canonical SMILES representation is CCC1=CC=CC2=CC(=C(N=C21)Cl)CCCl.
What is the XLogP3-AA value of 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
The XLogP3-AA value is 4.8.
How many hydrogen bond donor counts does 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline have?
It has 0 hydrogen bond donor counts.
What is the exact mass of 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
The exact mass is 253.0425048 g/mol.
How many rotatable bond counts does 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline have?
It has 3 rotatable bond counts.
Is the compound canonicalized for 2-Chloro-3-(2-chloroethyl)-8-ethylquinoline?
Yes, the compound is canonicalized.
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