CAS
917747-10-5 Purity
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917747-10-5 Purity
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2-Chloro-6,8-dimethylquinoline-3-carbonitrile
CAS
917750-50-6
Catalog Number
ACM917750506
Category
Other Products
Molecular Weight
216.666260 [g/mol]
Molecular Formula
C12H9ClN2
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Specification
Synonyms
2-Chloro-6,8-dimethylquinoline-3-carbonitrile, 917750-50-6, AGN-PC-01A9K5, CTK8E3948, MolPort-002-015-880, ZINC11985171, AKOS000676334, AB49061, MCULE-5901201300, KB-229976, 2-Chloro-6,8-dimethyl-quinoline-3-carbonitrile
IUPAC Name
2-chloro-6,8-dimethylquinoline-3-carbonitrile
Canonical SMILES
CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)C#N)C
InChI Key
HIBWIMLJOVOQMM-UHFFFAOYSA-N
Boiling Point
386.3ºC at 760 mmHg
Flash Point
187.4ºC
Density
1.27g/cm³
Exact Mass
216.04500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The molecular formula is C12H9ClN2.
What is the molecular weight of 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The molecular weight is 216.66 g/mol.
What is the IUPAC name of 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The IUPAC name is 2-chloro-6,8-dimethylquinoline-3-carbonitrile.
What is the InChI of 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The InChI is InChI=1S/C12H9ClN2/c1-7-3-8(2)11-9(4-7)5-10(6-14)12(13)15-11/h3-5H,1-2H3.
What are the synonyms for 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The synonyms include 2-Chloro-6,8-dimethyl-quinoline-3-carbonitrile and DTXSID50588989.
What is the Canonical SMILES of 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The Canonical SMILES is CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)C#N)C.
What is the XLogP3-AA value for 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The XLogP3-AA value is 3.6.
How many hydrogen bond acceptors are there in 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
There are 2 hydrogen bond acceptors.
What is the topological polar surface area of 2-Chloro-6,8-dimethylquinoline-3-carbonitrile?
The topological polar surface area is 36.7 Ų.
Is 2-Chloro-6,8-dimethylquinoline-3-carbonitrile a canonicalized compound?
Yes, the compound is canonicalized.
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