CAS
948291-23-4 Purity
96%
948291-23-4 Purity
96%
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2,5-Dichloro-8-methylquinoline-3-carbonitrile
CAS
948291-30-3
Catalog Number
ACM948291303
Category
Other Products
Molecular Weight
237.08
Molecular Formula
C11H6Cl2N2
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Specification
Synonyms
2,5-Dichloro-8-methylquinoline-3-carbonitrile, 948291-30-3, AGN-PC-01A9GG, CTK8E3531, ZINC11985236, AB51622
IUPAC Name
2,5-dichloro-8-methylquinoline-3-carbonitrile
Canonical SMILES
CC1=C2C(=C(C=C1)Cl)C=C(C(=N2)Cl)C#N
InChI Key
PMBFJSVYRZPMFI-UHFFFAOYSA-N
Boiling Point
407.1ºC at 760 mmHg
Flash Point
200ºC
Density
1.43g/cm³
Exact Mass
235.99100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2,5-Dichloro-8-methylquinoline-3-carbonitrile according to the reference?
The molecular formula of 2,5-Dichloro-8-methylquinoline-3-carbonitrile is C11H6Cl2N2.
When was 2,5-Dichloro-8-methylquinoline-3-carbonitrile created according to the reference?
2,5-Dichloro-8-methylquinoline-3-carbonitrile was created on November 13, 2007.
What is the IUPAC name of 2,5-Dichloro-8-methylquinoline-3-carbonitrile according to the reference?
The IUPAC name of 2,5-Dichloro-8-methylquinoline-3-carbonitrile is 2,5-dichloro-8-methylquinoline-3-carbonitrile.
What is the InChIKey of 2,5-Dichloro-8-methylquinoline-3-carbonitrile according to the reference?
The InChIKey of 2,5-Dichloro-8-methylquinoline-3-carbonitrile is PMBFJSVYRZPMFI-UHFFFAOYSA-N.
What is the Canonical SMILES of 2,5-Dichloro-8-methylquinoline-3-carbonitrile according to the reference?
The Canonical SMILES of 2,5-Dichloro-8-methylquinoline-3-carbonitrile is CC1=C2C(=C(C=C1)Cl)C=C(C(=N2)Cl)C#N.
What is the molecular weight of 2,5-Dichloro-8-methylquinoline-3-carbonitrile according to the reference?
The molecular weight of 2,5-Dichloro-8-methylquinoline-3-carbonitrile is 237.08 g/mol.
How many hydrogen bond donor counts does 2,5-Dichloro-8-methylquinoline-3-carbonitrile have according to the reference?
2,5-Dichloro-8-methylquinoline-3-carbonitrile has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 2,5-Dichloro-8-methylquinoline-3-carbonitrile according to the reference?
The XLogP3-AA value of 2,5-Dichloro-8-methylquinoline-3-carbonitrile is 3.9.
How many hydrogen bond acceptor counts does 2,5-Dichloro-8-methylquinoline-3-carbonitrile have according to the reference?
2,5-Dichloro-8-methylquinoline-3-carbonitrile has 2 hydrogen bond acceptor counts.
Is 2,5-Dichloro-8-methylquinoline-3-carbonitrile a canonicalized compound according to the reference?
Yes, 2,5-Dichloro-8-methylquinoline-3-carbonitrile is a canonicalized compound.
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