CAS
948291-17-6 Purity
96%
948291-17-6 Purity
96%
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8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile
CAS
948291-24-5
Catalog Number
ACM948291245
Category
Other Products
Molecular Weight
297.54
Molecular Formula
C11H6BrClN2O
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Specification
Synonyms
8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile, 948291-24-5, AGN-PC-01A9QH, CTK8E5552, ZINC32099651, AB52453
IUPAC Name
8-bromo-2-chloro-7-methoxyquinoline-3-carbonitrile
Canonical SMILES
COC1=C(C2=C(C=C1)C=C(C(=N2)Cl)C#N)Br
InChI Key
PPTAKNSRMBAQFW-UHFFFAOYSA-N
Boiling Point
440.6ºC at 760 mmHg
Flash Point
220.3ºC
Density
1.71g/cm³
Exact Mass
295.93500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile?
The molecular formula is C11H6BrClN2O.
When was 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile created in PubChem?
It was created on November 13, 2007.
What is the IUPAC name of 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile?
The IUPAC name is 8-bromo-2-chloro-7-methoxyquinoline-3-carbonitrile.
What is the Canonical SMILES representation of 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile?
COC1=C(C2=NC(=C(C=C2C=C1)C#N)Cl)Br
What is the molecular weight of 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile?
The molecular weight is 297.53 g/mol.
How many hydrogen bond acceptor counts does 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile?
The topological polar surface area is 45.9 Ų.
How many rotatable bond counts does 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile have?
It has 1 rotatable bond count.
Is 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile a canonicalized compound?
Yes, it is a canonicalized compound.
What is the InChIKey of 8-Bromo-2-chloro-7-methoxyquinoline-3-carbonitrile?
The InChIKey is PPTAKNSRMBAQFW-UHFFFAOYSA-N.
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