AG00IFUY

898566-17-1 | 2-(4-Fluorophenyl)-5-[(5-Iodo-2-Methylphenyl)Methyl]Thiophene

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CAS Number	898566-17-1
Catalog Number	AG00IFUY(AGN-PC-07HB27)
Chemical Name	2-(4-Fluorophenyl)-5-[(5-Iodo-2-Methylphenyl)Methyl]Thiophene
EC Number	618-312-6
IUPAC Name	2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
InChI	InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3
InChI Key	MGXZKAYHSITHMW-UHFFFAOYSA-N
MDL Number	MFCD12405593
Molecular Formula	C18H14FIS
Molecular Weight	408.2716
SMILES	CC1=C(CC2=CC=C(S2)C2=CC=C(F)C=C2)C=C(I)C=C1
Synonyms	898566-17-1, 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene, 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene, AK-36802, 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl) methyl]thiophene, Thiophene, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-, 2-(4-Fluorophenyl)-5-((5-iodo-2-methylphenyl)methyl)thiophene, Thiophene,2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-, Canagliflozin impurity D, canagliflozin int5, canagliflozin intermediate1, C18H14FIS, SCHEMBL1585350, THI045, CTK5G3633, DTXSID80672128, MGXZKAYHSITHMW-UHFFFAOYSA-N, BCP07751, CS-M1890, EBD25719, KS-00000HE6, ANW-57820, MFCD12405593, ZINC39351846, AKOS005145830, AC-5965, ACN-028595, AN-2823, AS06216, CM13887, QC-6123, VT20065, AJ-99999, AS-20008, BC672080, SC-81758, SY047875, AX8158252, DB-078530, TC-146565, FT-0646688, ST24039447, Z3520, MFCD12405593 (95%), 566F171, A843352, I06-2101, J-524957, 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methy, 2-(5-iodo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene, 2-((5-iodo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene, 2-(4-fluorophenyl)-5-[(5-iodanyl-2-methyl-phenyl)methyl]thiophene, 2-(4-fluorophenyl)-5-[(5-iodo-2-methyl-phenyl)methyl]thiophene, Thiophene, 2-(4-Fluorophenyl)-5-[(5-Iodo-2-methylphenyl)methyl]thiophene, 2-(3-Isocyanatophenyl)pyrimidine, CS-AQ-00193, EC 618-312-6,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	407.984g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	408.273g/mol
Monoisotopic Mass	407.984g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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