AG00C40R

301693-50-5 | 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one

AG00C40R

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CAS Number	301693-50-5
Catalog Number	AG00C40R(AGN-PC-0R5J79)
Chemical Name	4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
IUPAC Name	4-(3-fluorophenyl)-2,2-dimethyl-5-(4-methylsulfanylphenyl)furan-3-one
InChI	InChI=1S/C19H17FO2S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(22-19)12-7-9-15(23-3)10-8-12/h4-11H,1-3H3
InChI Key	OTXGJFNQTZTDPD-UHFFFAOYSA-N
MDL Number	MFCD22570932
Molecular Formula	C19H17FO2S
Molecular Weight	328.4005
SMILES	O=C1C(C)(C)OC(C2=CC=C(SC)C=C2)=C1C3=CC=CC(F)=C3
Synonyms	301693-50-5, 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one, AK173015, SCHEMBL6997433, KS-00000SSA, OTXGJFNQTZTDPD-UHFFFAOYSA-N, MFCD22570932, ZINC83291435, AKOS025149740, DS-8206, 2,2-dimethyl-4(3-fluorophenyl)-5-{4-(methylthio)phenyl}-3(2H)-furanone, 2,2-dimethyl-4-(3-fluorophenyl)-5-{4-(methylthio)phenyl}-3(2H)-furanone, 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-methylsulfanylphenyl)furan-3-one, 2,2-dimethyl-4-(3-fluorophenyl)-5-[4-(methylthio)phenyl]-3(2,

Complexity	492
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	328.093g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	328.401g/mol
Monoisotopic Mass	328.093g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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