5-Bromoquinoline-2-carbonitrile - CAS 1092304-90-9

Catalog:	BB002402
Product Name:	5-Bromoquinoline-2-carbonitrile
CAS:	1092304-90-9
Synonyms:	5-bromo-2-quinolinecarbonitrile; 5-bromoquinoline-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromoquinoline-2-carbonitrile
Description:	5-Bromoquinoline-2-carbonitrile (CAS# 1092304-90-9) is a useful research chemical.
Molecular Weight:	233.06
Molecular Formula:	C10H5BrN2
Canonical SMILES:	C1=CC2=C(C=CC(=N2)C#N)C(=C1)Br
InChI:	InChI=1S/C10H5BrN2/c11-9-2-1-3-10-8(9)5-4-7(6-12)13-10/h1-5H
InChI Key:	JIVIKOIXOUTCTN-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.86898

Publication Number	Title	Priority Date
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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.96361
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3