AG007I36

1030825-20-7 | 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

AG007I36

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CAS Number	1030825-20-7
Catalog Number	AG007I36(AGN-PC-0808BZ)
Chemical Name	2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
IUPAC Name	2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
InChI	InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChI Key	VLRIERSBZHUCOW-UHFFFAOYSA-N
MDL Number	MFCD21496340
Molecular Formula	C18H14BrFS
Molecular Weight	361.2712
SMILES	C(c1sc(cc1)c1ccc(cc1)F)c1c(C)ccc(c1)Br
Synonyms	1030825-20-7, 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene, 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene, AK101613, 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene, Thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-, A1-00243, 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene, VLRIERSBZHUCOW-UHFFFAOYSA-N, C18H14BrFS, Canagliflozin Intermediate II, SCHEMBL154701, THI043, THI064, CTK8B9643, DTXSID10677368, BCP07730, CS-M1889, ANW-62836, BBL103020, MFCD21496340, STL556829, ZINC71973419, AKOS016004335, ACN-028594, AS06217, CM13888, QC-2696, AC-26308, AS-20009, BC600262, PC448035, SY112941, AB0095332, AJ-118995, AX8233152, TC-151581, 4CH-021688, FT-0697204, ST24039490, Z3521, MFCD21496340 (97%), 2-(5-Bromo-methyl Benzyl)-5-(4-fluorophenyl)thiophene, 2-[(5-Bromo-2-methyl-phenyl)methyl]-5-(4-fluorophenyl)thiophene, Thiophene,2-[(5-broMo-2-Methylphenyl)Methyl]-5-(4-fluorophenyl)-, Canagliflozin impurity C, CS-AQ-00192, ACN-028594-2, Methyl 1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucopyranoside, 1030825-21-8,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	359.998g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	361.272g/mol
Monoisotopic Mass	359.998g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.4

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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