CAS
948293-95-6 Purity
96%
948293-95-6 Purity
96%
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5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile
CAS
948294-04-0
Catalog Number
ACM948294040
Category
Other Products
Molecular Weight
297.535140 [g/mol]
Molecular Formula
C11H6BrClN2O
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Specification
Synonyms
5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile, 948294-04-0, AGN-PC-01A9NT, ZINC32099497, AB52220
IUPAC Name
5-bromo-2-chloro-6-methoxyquinoline-3-carbonitrile
Canonical SMILES
COC1=C(C2=C(C=C1)N=C(C(=C2)C#N)Cl)Br
InChI Key
BEBXRVDHZDWBDL-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 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile?
The molecular formula is C11H6BrClN2O.
When was the PubChem CID 17039939 created?
It was created on November 13, 2007.
What is the molecular weight of 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile?
The molecular weight is 297.53 g/mol.
What is the IUPAC name of 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile?
The IUPAC name is 5-bromo-2-chloro-6-methoxyquinoline-3-carbonitrile.
What is the InChIKey of 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile?
The InChIKey is BEBXRVDHZDWBDL-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile?
The topological polar surface area is 45.9 Ų.
Does 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile have any defined atom stereocenters?
No, it has 0 defined atom stereocenters.
How many heavy atoms are present in 5-Bromo-2-chloro-6-methoxyquinoline-3-carbonitrile?
There are 16 heavy atoms.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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