CAS
948291-44-9 Purity
96%
948291-44-9 Purity
96%
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2-Chloro-3-chloromethyl-8-methylquinoline
CAS
948291-50-7
Catalog Number
ACM948291507
Category
Other Products
Molecular Weight
226.1
Molecular Formula
C11H9Cl2N
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Specification
Synonyms
2-Chloro-3-chloromethyl-8-methylquinoline, 948291-50-7, AGN-PC-01A9K3, CTK8E3898, ZINC11985066, AKOS009307695, AB51941, 2-chloro-3-(chloromethyl)-8-methylquinoline
IUPAC Name
2-chloro-3-(chloromethyl)-8-methylquinoline
Canonical SMILES
CC1=CC=CC2=CC(=C(N=C12)Cl)CCl
InChI Key
AFLRXIHGPHYZBL-UHFFFAOYSA-N
Boiling Point
348.5ºC at 760 mmHg
Flash Point
195.5ºC
Density
1.309g/cm³
Exact Mass
225.01100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 2-Chloro-3-chloromethyl-8-methylquinoline?
The molecular formula is C11H9Cl2N.
What is the molecular weight of 2-Chloro-3-chloromethyl-8-methylquinoline?
The molecular weight is 226.10 g/mol.
What is the IUPAC name of 2-Chloro-3-chloromethyl-8-methylquinoline?
The IUPAC name is 2-chloro-3-(chloromethyl)-8-methylquinoline.
What is the InChI of 2-Chloro-3-chloromethyl-8-methylquinoline?
The InChI is InChI=1S/C11H9Cl2N/c1-7-3-2-4-8-5-9(6-12)11(13)14-10(7)8/h2-5H,6H2,1H3.
What is the InChIKey of 2-Chloro-3-chloromethyl-8-methylquinoline?
The InChIKey is AFLRXIHGPHYZBL-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Chloro-3-chloromethyl-8-methylquinoline?
The Canonical SMILES is CC1=C2C(=CC=C1)C=C(C(=N2)Cl)CCl.
What is the XLogP3-AA value of 2-Chloro-3-chloromethyl-8-methylquinoline?
The XLogP3-AA value is 3.9.
How many hydrogen bond donor counts does 2-Chloro-3-chloromethyl-8-methylquinoline have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 2-Chloro-3-chloromethyl-8-methylquinoline have?
It has 1 hydrogen bond acceptor count.
Is 2-Chloro-3-chloromethyl-8-methylquinoline a canonicalized compound?
Yes, it is a canonicalized compound.
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