4-(Azidomethyl)benzonitrile solution - CAS 84466-87-5

Catalog:	BB037205
Product Name:	4-(Azidomethyl)benzonitrile solution
CAS:	84466-87-5
Synonyms:	4-(azidomethyl)benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-(azidomethyl)benzonitrile
Description:	4-(Azidomethyl)benzonitrile solution (CAS# 84466-87-5 ) is a useful research chemical.
Molecular Weight:	158.16
Molecular Formula:	C8H6N4
Canonical SMILES:	C1=CC(=CC=C1CN=[N+]=[N-])C#N
InChI:	InChI=1S/C8H6N4/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-4H,6H2
InChI Key:	GWVIVHINAVAKKV-UHFFFAOYSA-N
MDL:	MFCD14652229
LogP:	1.82134

Publication Number	Title	Priority Date
KR-20210085369-A	1,2,3-Triazole Derivative Compounds as HSP90 Inhibitor, and the Use Thereof	20191230
KR-20210085427-A	1,2,3-Triazole Derivative Compounds as HSP90 Inhibitor	20191230
WO-2021137665-A1	1, 2, 3-triazole derivative compound as hsp90 inhibitor, and use thereof	20191230
US-2021130302-A1	Antiviral Pyrazolopyridinone Compounds	20190926
WO-2021061898-A1	Antiviral pyrazolopyridinone compounds	20190926

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.059246208
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.059246208
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5