AG00C33I

239135-53-6 | 2-Fluoro-4-Iodobenzotrifluoride

AG00C33I

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CAS Number	239135-53-6
Catalog Number	AG00C33I(AGN-PC-0WNRED)
Chemical Name	2-Fluoro-4-Iodobenzotrifluoride
IUPAC Name	2-fluoro-4-iodo-1-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F4I/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H
InChI Key	AXHWCGXNDYZNFA-UHFFFAOYSA-N
MDL Number	MFCD01320764
Molecular Formula	C7H3F4I
Molecular Weight	289.9968
SMILES	FC(C1=CC=C(I)C=C1F)(F)F
Synonyms	2-fluoro-4-iodo-1-(trifluoromethyl)benzene, 2-Fluoro-4-iodobenzotrifluoride, 239135-53-6, AC1MC75V, SCHEMBL79185, 2-Fluoro-4-iodobenzotrifluorid, CTK7C3192, DTXSID50372002, AXHWCGXNDYZNFA-UHFFFAOYSA-N, ZINC2379370, MFCD01320764, AJ-34568, PS-11683, RT-007768, CID2737343, 4-iodo-2-fluoro-1-trifluoromethylbenzene,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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