AG002BCQ

198206-33-6 | Benzene, 1-iodo-3-(trifluoromethoxy)-

AG002BCQ

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CAS Number	198206-33-6
Catalog Number	AG002BCQ(AGN-PC-0KKY4Q)
Chemical Name	Benzene, 1-iodo-3-(trifluoromethoxy)-
IUPAC Name	1-iodo-3-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H
InChI Key	UQZXQSQWKJZHCD-UHFFFAOYSA-N
MDL Number	MFCD01090992
Molecular Formula	C7H4F3IO
Molecular Weight	288.0057
SMILES	C1=C(OC(F)(F)F)C=CC=C1I
Synonyms	1-Iodo-3-(trifluoromethoxy)benzene, 198206-33-6, 3-(Trifluoromethoxy)iodobenzene, 3-iodo-1-(trifluoromethoxy)benzene, m-iodotrifluoromethoxybenzene, Benzene, 1-iodo-3-(trifluoromethoxy)-, 1-iodo-3-trifluoromethoxy-benzene, MFCD01090992, PubChem4438, AC1MCRLT, ACMC-1C5SS, AC1Q4KE1, 3-trifluoromethoxyiodobenzene, SCHEMBL78949, KSC494I7T, CTK3J4479, KS-00000DCC, DTXSID60380456, UQZXQSQWKJZHCD-UHFFFAOYSA-N, ACN-S004562, ACT12668, ZINC2572865, ANW-50163, 3-(Trifluoromethoxy)iodobenzene, 96%, AKOS015853173, AC-9725, AM61821, AS01589, CS-W002748, DS-1296, MCULE-1829333724, PF10324, PS-7179, RTC-010448, TRA0051233, VZ26137, 1-iodo-3-(trifluoromethoxy)benzene 98%, 3-IODOPHENYL TRIFLUOROMETHYL ETHER, AJ-42097, AK-73118, alpha,alpha,alpha-Trifluoro-3-iodoanisole, AN-30071, BR-73118, CJ-09979, SC-02167, SY016163, 1-iodo-3-(trifluoromethoxy)benzene, 97+%, AB0011412, DB-023800, ST2415357, TC-010448, 4CH-014063, A4346, FT-0643845, I0813, ST51041813, EN300-66249, M-6693, 3-IODO-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE, MFCD01090992 (97+%), I01-1689, 3-iodophenyl trifluoromethyl ether, 3-iodo-alpha,alpha,alpha-trifluoroanisole, C7H4F3IO, ZINC02572865, CID2777293, 1-Iodo-3-(trifluoromethoxy)benzene, 98% - 1G 1g,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.926g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	288.008g/mol
Monoisotopic Mass	287.926g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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