AG00CKQ9

345226-19-9 | 3-Chloro-4-iodo-1-(trifluoroMethoxy)benzene

AG00CKQ9

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CAS Number	345226-19-9
Catalog Number	AG00CKQ9(AGN-PC-0WAN33)
Chemical Name	3-Chloro-4-iodo-1-(trifluoroMethoxy)benzene
IUPAC Name	2-chloro-1-iodo-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3ClF3IO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H
InChI Key	NFAJTTNPYSKSCV-UHFFFAOYSA-N
MDL Number	MFCD08458089
Molecular Formula	C7H3ClF3IO
Molecular Weight	322.4508
SMILES	FC(F)(F)OC1=CC=C(I)C(Cl)=C1
Synonyms	2-chloro-1-iodo-4-(trifluoromethoxy)benzene, 345226-19-9, 2-Chloro-4-(trifluoromethoxy)iodobenzene, 3-Chloro-4-iodo-1-(trifluoroMethoxy)benzene, AK136294, C7H3ClF3IO, SCHEMBL508083, CTK7C3337, KS-00000RNO, 3-chloro-4-iodo-trifluoroanisole, DTXSID90650437, NFAJTTNPYSKSCV-UHFFFAOYSA-N, ZX-AP003558, MFCD08458089, PC2685, ZINC16158669, AKOS015995462, FCH1323466, PS-7040, AJ-68563, SY041691, 3-Chloro-4-iodophenyl trifluoromethyl ether, AX8257862, CS-0041013, ST24040266, V5336, MFCD08458089 (95%), K-7862, 3-Chloro-4-iodo-alpha,alpha,alpha-trifluoroanisole,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.887g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	322.45g/mol
Monoisotopic Mass	321.887g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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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