AG00I321

194344-29-1 | Benzene, 2-iodo-4-nitro-1-(trifluoromethoxy)-

AG00I321

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CAS Number	194344-29-1
Catalog Number	AG00I321(AGN-PC-0BEP3J)
Chemical Name	Benzene, 2-iodo-4-nitro-1-(trifluoromethoxy)-
IUPAC Name	2-iodo-4-nitro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3F3INO3/c8-7(9,10)15-6-2-1-4(12(13)14)3-5(6)11/h1-3H
InChI Key	UCHXFOSROGVONK-UHFFFAOYSA-N
MDL Number	MFCD13194454
Molecular Formula	C7H3F3INO3
Molecular Weight	333.0033
SMILES	FC(F)(F)OC1=CC=C([N+]([O-])=O)C=C1I
Synonyms	2-Iodo-4-nitro-1-(trifluoromethoxy)benzene, 194344-29-1, 3-Iodo-4-(trifluoromethoxy)nitrobenzene, MFCD13194454, ZINC79449503, AKOS027324464, PC01489, 5-Nitro-2-(trifluoromethoxy)iodobenzene, PS-10462, SY128821, CS-0083333, MFCD13194454 (95%),

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	332.911g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	333.005g/mol
Monoisotopic Mass	332.911g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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