3-Iodobenzamide - CAS 10388-19-9

Catalog:	BB001253
Product Name:	3-Iodobenzamide
CAS:	10388-19-9
Synonyms:	3-iodobenzamide; 3-iodobenzamide

Technical Data

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Computed Properties

IUPAC Name:	3-iodobenzamide
Description:	3-Iodobenzamide (CAS# 10388-19-9) is a useful research chemical.
Molecular Weight:	247.03
Molecular Formula:	C7H6INO
Canonical SMILES:	C1=CC(=CC(=C1)I)C(=O)N
InChI:	InChI=1S/C7H6INO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:	HEMYUAPEXJWFCP-UHFFFAOYSA-N
Boiling Point:	322.5 °C at 760 mmHg
Density:	1.897 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00143169
LogP:	2.09040

Publication Number	Title	Priority Date
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113690-A1	Masp-2 inhibitors and methods of use	20191204
CN-112574054-A	Efficient nitriding reagent and application thereof	20190930
JP-2021052669-A	Fusion protein of protein recognizing substance and streptavidin mutant	20190930
WO-2020185928-A1	Charged ion channel blockers and methods for use	20190311

PMID	Publication Date	Title	Journal
20856922	20100907	Not all partial dopamine D(2) receptor agonists are the same in treating schizophrenia. Exploring the effects of bifeprunox and aripiprazole using a computer model of a primate striatal dopaminergic synapse	Neuropsychiatric disease and treatment
19421750	20090901	Targeting murine heart and brain: visualisation conditions for multi-pinhole SPECT with (99m)Tc- and (123)I-labelled probes	European journal of nuclear medicine and molecular imaging

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.94941
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.94941
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5