AG01E5PT

1160573-63-6 | 5-Bromo-2-iodo-4-nitrotoluene

AG01E5PT

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CAS Number	1160573-63-6
Catalog Number	AG01E5PT
Chemical Name	5-Bromo-2-iodo-4-nitrotoluene
IUPAC Name	1-bromo-4-iodo-5-methyl-2-nitrobenzene
InChI	InChI=1S/C7H5BrINO2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,1H3
InChI Key	OORCPJADBMDQNC-UHFFFAOYSA-N
MDL Number	MFCD11846025
Molecular Formula	C7H5BrINO2
Molecular Weight	341.9286
SMILES	CC1=CC(Br)=C([N+]([O-])=O)C=C1I
Synonyms	1160573-63-6, 5-Bromo-2-iodo-4-nitrotoluene, 1-bromo-4-iodo-5-methyl-2-nitrobenzene, MFCD11846025, ZINC36532868, AKOS025296299, AK505149, DS-19058,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.855g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	341.93g/mol
Monoisotopic Mass	340.855g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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