AG000NFY

125299-79-8 | Phenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[2,6-dibromo-

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CAS Number	125299-79-8
Catalog Number	AG000NFY(AGN-PC-0PHZQ0)
Chemical Name	Phenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[2,6-dibromo-
IUPAC Name	2,6-dibromo-4-[10,15,20-tris(3,5-dibromo-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
InChI	InChI=1S/C44H22Br8N4O4/c45-21-9-17(10-22(46)41(21)57)37-29-1-2-30(53-29)38(18-11-23(47)42(58)24(48)12-18)32-5-6-34(55-32)40(20-15-27(51)44(60)28(52)16-20)36-8-7-35(56-36)39(33-4-3-31(37)54-33)19-13-25(49)43(59)26(50)14-19/h1-16,53,56-60H
InChI Key	HLEAALYDIBPCAV-UHFFFAOYSA-N
MDL Number	MFCD21608645
Molecular Formula	C44H22Br8N4O4
Molecular Weight	1309.9019
SMILES	BrC1=C(O)C(Br)=CC(/C2=C(C=C3)/N=C3/C(C4=CC(Br)=C(O)C(Br)=C4)=C(C=C/5)NC5=C(C6=CC(Br)=C(O)C(Br)=C6)/C(C=C/7)=NC7=C(C8=CC(Br)=C(O)C(Br)=C8)/C9=CC=C2N9)=C1
Synonyms	Tetra(3,5-dibromo-4-hydroxyphenyl)porphyrin, 125299-79-8, MFCD21608645, AK-51678, J1.906.893E, 5,10,15,20-Tetrakis(3,5-dibromo-4-hydroxyphenyl)-21H,23H-porphyrin, Phenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[2,6-dibromo-, meso-tetra(3,5-dibromo-4-hydroxyphenyl)porphyrin,

Complexity	1220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1309.503g/mol
Formal Charge	0
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	1309.916g/mol
Monoisotopic Mass	1301.511g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	14.5

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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