AG004OLG

861601-15-2 | 1-Bromo-3-iodo-5-nitrobenzene

AG004OLG

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CAS Number	861601-15-2
Catalog Number	AG004OLG(AGN-PC-07CN8M)
Chemical Name	1-Bromo-3-iodo-5-nitrobenzene
IUPAC Name	1-bromo-3-iodo-5-nitrobenzene
InChI	InChI=1S/C6H3BrINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key	KHHGBDKCMRQYQX-UHFFFAOYSA-N
MDL Number	MFCD13194576
Molecular Formula	C6H3BrINO2
Molecular Weight	327.9020
SMILES	[O-][N+](=O)C1=CC(Br)=CC(I)=C1
Synonyms	1-bromo-3-iodo-5-nitrobenzene, 861601-15-2, 3-bromo-5-iodonitrobenzene, 1-Bromo-3-iodo-5-nitro-benzene, 3-Bromo-5-nitroiodobenzene, SCHEMBL220173, CTK5F6327, DTXSID20670340, KHHGBDKCMRQYQX-UHFFFAOYSA-N, ZX-AT022089, 3463AC, ANW-67938, MFCD13194576, ZINC38540929, AKOS016007123, FCH1326084, OR40409, AJ-96550, AK-80950, AS-40313, EN001460, SY030026, AX8237155, DB-076566, TX-011035, 4CH-021831, FT-0738888, ST24037876, MFCD13194576 (95%), Z-5016, C6H3BrINO2, CB11755,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.839g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	327.903g/mol
Monoisotopic Mass	326.839g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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