CAS
948289-86-9 Purity
96%
948289-86-9 Purity
96%
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2-Chloro-3-(3-chloropropyl)-6-methylquinoline
CAS
948289-99-4
Catalog Number
ACM948289994
Category
Other Products
Molecular Weight
254.16
Molecular Formula
C13H13Cl2N
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Specification
Synonyms
2-Chloro-3-(3-chloropropyl)-6-methylquinoline, 948289-99-4, AGN-PC-01A9JD, CTK8E3866, ZINC32099351, AB51861
IUPAC Name
2-chloro-3-(3-chloropropyl)-6-methylquinoline
InChI Key
FUCNKXVNUNJMEO-UHFFFAOYSA-N
Boiling Point
378ºC at 760 mmHg
Flash Point
214.3ºC
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-(3-chloropropyl)-6-methylquinoline?
The molecular formula is C13H13Cl2N.
When was the compound created and modified in PubChem?
It was created on 2007-11-13 and modified on 2023-12-30.
What is the IUPAC name of 2-Chloro-3-(3-chloropropyl)-6-methylquinoline?
The IUPAC name is 2-chloro-3-(3-chloropropyl)-6-methylquinoline.
What is the InChIKey of the compound?
The InChIKey is FUCNKXVNUNJMEO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1=CC2=CC(=C(N=C2C=C1)Cl)CCCCl.
What is the molecular weight of the compound?
The molecular weight is 254.15 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 12.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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