AG003CPS

121399-88-0 | 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin

AG003CPS

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CAS Number	121399-88-0
Catalog Number	AG003CPS(AGN-PC-0PFLH1)
Chemical Name	2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin
IUPAC Name	2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
InChI	InChI=1S/C44H2F28N4/c45-9-1(10(46)18(54)25(61)17(9)53)5-37-29(65)31(67)39(73-37)6(2-11(47)19(55)26(62)20(56)12(2)48)41-33(69)35(71)43(75-41)8(4-15(51)23(59)28(64)24(60)16(4)52)44-36(72)34(70)42(76-44)7(40-32(68)30(66)38(5)74-40)3-13(49)21(57)27(63)22(58)14(3)50/h73,76H
InChI Key	YPQJLILOZYQHNR-UHFFFAOYSA-N
MDL Number	MFCD10000962
Molecular Formula	C44H2F28N4
Molecular Weight	1118.4688
SMILES	FC1=C2NC(=C1F)C(=C1/N=C(C(F)=C1F)/C(=C1NC(C(F)=C1F)=C(/C1=N/C(/C(F)=C1F)=C2/C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F)/C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
Synonyms	121399-88-0, 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin, 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)-21H,23H-porphine, ACMC-209aa4, SCHEMBL8174916, CTK4B2343, BCP24897, ANW-17594, AKOS015853442, RTR-003498, O0319, J-004488, Perfluoro-5,10,15,20-tetraphenyl-21H,23H-porphyrin, 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetra(pentafluorophenyl)-21H,23H-porphyrin, 21H,23H-Porphine,2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)- (9CI),

Complexity	1690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1117.983g/mol
Formal Charge	0
Heavy Atom Count	76
Hydrogen Bond Acceptor Count	30
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	1118.483g/mol
Monoisotopic Mass	1117.983g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12.1

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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