4-Amino-2-chloro-5-iodobenzonitrile - CAS 380241-58-7

Catalog:	BB023489
Product Name:	4-Amino-2-chloro-5-iodobenzonitrile
CAS:	380241-58-7
Synonyms:	4-amino-2-chloro-5-iodobenzonitrile; 4-amino-2-chloro-5-iodobenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-amino-2-chloro-5-iodobenzonitrile
Description:	4-Amino-2-chloro-5-iodobenzonitrile (CAS# 380241-58-7 ) is a useful research chemical.
Molecular Weight:	278.48
Molecular Formula:	C7H4ClIN2
Canonical SMILES:	C1=C(C(=CC(=C1I)N)Cl)C#N
InChI:	InChI=1S/C7H4ClIN2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
InChI Key:	IKCXDJAYEOMPDI-UHFFFAOYSA-N
LogP:	2.97968

Publication Number	Title	Priority Date
WO-2017012647-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders	20150720
WO-2016025932-A1	Substituted polycyclic antibacterial compounds	20140815
AU-2012302011-A1	Antibacterial compounds and methods for use	20110829
CA-2846655-A1	Antibacterial compounds and methods for use	20110829
EP-2750678-A1	Antibacterial compounds and methods for use	20110829

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.91077
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.91077
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2