CAS
951030-58-3 Purity
96%
951030-58-3 Purity
96%
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2-Bromo-4-cyanoquinoline
CAS
95104-24-8
Catalog Number
ACM95104248
Category
Other Products
Molecular Weight
233.0641
Molecular Formula
C10H5BrN2
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Specification
Synonyms
2-BROMO-4-CYANOQUINOLINE
IUPAC Name
2-bromoquinoline-4-carbonitrile
Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Br)C#N
InChI Key
WBJXNFJBFBJGHO-UHFFFAOYSA-N
Boiling Point
279.2ºC at 760mmHg
Flash Point
122.6ºC
Density
1.66g/cm³
Exact Mass
231.96400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 20430568?
The molecular formula is C10H5BrN2.
When was the compound created in PubChem?
The compound was created in PubChem on December 5, 2007.
What is the IUPAC name of the compound?
The IUPAC name is 2-bromoquinoline-4-carbonitrile.
What is the InChIKey of the compound?
The InChIKey is WBJXNFJBFBJGHO-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 233.06 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 231.96361 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 36.7 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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