AG003EFK

886762-35-2 | 1-Iodo-2-nitro-4-(trifluoromethoxy)benzene

AG003EFK

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CAS Number	886762-35-2
Catalog Number	AG003EFK(AGN-PC-0WQWKP)
Chemical Name	1-Iodo-2-nitro-4-(trifluoromethoxy)benzene
IUPAC Name	1-iodo-2-nitro-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3F3INO3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H
InChI Key	LSFHKVCNLXPINN-UHFFFAOYSA-N
MDL Number	MFCD04039213
Molecular Formula	C7H3F3INO3
Molecular Weight	333.0033
SMILES	FC(F)(F)OC1=CC=C(I)C([N+]([O-])=O)=C1
Synonyms	1-iodo-2-nitro-4-(trifluoromethoxy)benzene, 886762-35-2, 2-Nitro-4-(trifluoromethoxy)iodobenzene, ACMC-209qwf, AC1MD2TG, C7H3F3INO3, SCHEMBL3495810, CTK5G1180, DTXSID30382200, LSFHKVCNLXPINN-UHFFFAOYSA-N, ZINC2525733, ZX-AP004304, ANW-39133, MFCD04039213, AKOS015853820, PC10109, RTR-038216, AJ-37510, AS-39090, 1-iodo-2-nitro-4-trifluoromethoxy-benzene, 1-iodo-2-nitro-4-(trifloromethoxy)benzene, AX8208976, DB-078107, TR-038216, CS-0083357, FT-0752895, V8695, B-5355, I01-11773, CID2782669,

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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