AG00CIUM

41860-65-5 | 4-Fluoro-1-iodo-2-(trifluoromethyl)benzene

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CAS Number	41860-65-5
Catalog Number	AG00CIUM(AGN-PC-0WBV10)
Chemical Name	4-Fluoro-1-iodo-2-(trifluoromethyl)benzene
IUPAC Name	4-fluoro-1-iodo-2-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F4I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChI Key	NEFPMXMCSCGJLD-UHFFFAOYSA-N
MDL Number	MFCD07369008
Molecular Formula	C7H3F4I
Molecular Weight	289.9968
SMILES	FC(C1=CC(F)=CC=C1I)(F)F
Synonyms	4-fluoro-1-iodo-2-(trifluoromethyl)benzene, 41860-65-5, 5-Fluoro-2-iodobenzotrifluoride, SCHEMBL1363828, CTK8E9203, DTXSID10660018, NEFPMXMCSCGJLD-UHFFFAOYSA-N, 2996AE, MFCD07369008, ZINC63926334, FS-3973, AJ-114562, TC-064685, C-5294, C7H3F4I, 4-Fmoc-Piperazine-2-(S)-carboxylic acid,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.922g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.999g/mol
Monoisotopic Mass	289.922g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^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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