AG000JOV

1228898-12-1 | Benzene, 2-iodo-4-nitro-1-(trifluoromethyl)-

AG000JOV

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CAS Number	1228898-12-1
Catalog Number	AG000JOV(AGN-PC-0WR2YF)
Chemical Name	Benzene, 2-iodo-4-nitro-1-(trifluoromethyl)-
IUPAC Name	2-iodo-4-nitro-1-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F3INO2/c8-7(9,10)5-2-1-4(12(13)14)3-6(5)11/h1-3H
InChI Key	GXQIWTSUPAYASC-UHFFFAOYSA-N
MDL Number	MFCD16606427
Molecular Formula	C7H3F3INO2
Molecular Weight	317.0039
SMILES	[O-][N+](=O)C1=CC=C(C(I)=C1)C(F)(F)F
Synonyms	1228898-12-1, 3-Iodo-4-(trifluoromethyl)nitrobenzene, 2-Iodo-4-nitro-1-(trifluoromethyl)benzene, SCHEMBL19746948, MFCD16606427, ZINC238572149, AS-46368, Benzene, 2-iodo-4-nitro-1-(trifluoromethyl)-, 2-iodo-4-nitrobenzotrifluoride,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.916g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.006g/mol
Monoisotopic Mass	316.916g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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