5-Bromo-1H-indazole-3-carbonitrile - CAS 201227-39-6

Catalog:	BB015665
Product Name:	5-Bromo-1H-indazole-3-carbonitrile
CAS:	201227-39-6
Synonyms:	5-bromo-1H-indazole-3-carbonitrile; 5-bromo-1H-indazole-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-1H-indazole-3-carbonitrile
Description:	5-Bromo-1H-indazole-3-carbonitrile (CAS# 201227-39-6) is a useful research chemical.
Molecular Weight:	222.04
Molecular Formula:	C8H4BrN3
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=NN2)C#N
InChI:	InChI=1S/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
InChI Key:	QIULWQLXNFSZJG-UHFFFAOYSA-N
Boiling Point:	425.268 °C at 760 mmHg
Density:	1.852 g/cm³
LogP:	2.19708

Publication Number	Title	Priority Date
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
US-2020040039-A1	Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound	20170321
AU-2017213768-A1	Benzopyrazole compounds and analogues thereof	20160201
EP-3411411-A1	Benzopyrazole compounds and analogues thereof	20160201
JP-2019507130-A	Benzopyrazole compounds and their analogues	20160201

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.95886
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3