2-Iodo-4-nitrobenzyl Bromide - CAS 89642-21-7

Catalog:	BB039554
Product Name:	2-Iodo-4-nitrobenzyl Bromide
CAS:	89642-21-7
Synonyms:	1-(bromomethyl)-2-iodo-4-nitrobenzene; 1-(bromomethyl)-2-iodo-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(bromomethyl)-2-iodo-4-nitrobenzene
Description:	2-Iodo-4-nitrobenzyl Bromide (CAS# 89642-21-7 ) is a useful research chemical.
Molecular Weight:	341.93
Molecular Formula:	C7H5BrINO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])I)CBr
InChI:	InChI=1S/C7H5BrINO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChI Key:	CSGDIBWHUNXCJM-UHFFFAOYSA-N
Boiling Point:	377 °C at 760 mmHg
Density:	2.237 g/cm³
LogP:	3.61750

Publication Number	Title	Priority Date
JP-2015093831-A	Aldosterone synthase inhibitor	20131108
WO-2013170770-A1	Acetylene derivatives having antitumor activity	20120516
WO-2013170774-A1	Acetylene derivative having antineoplastic activity	20120516
US-2013018044-A1	New inhibitors of cyclophilins and uses thereof	20091221
US-2014179687-A1	New Inhibitors of Cyclophilins and Uses Thereof	20091221

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.85484
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.85484
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3