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18253-54-8 | Tin, dichloro[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (OC-6-12)-
CAS No: 18253-54-8 Catalog No: AG0023YC MDL No:MFCD00054210
Product Description
Catalog Number:
AG0023YC
Chemical Name:
Tin, dichloro[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (OC-6-12)-
CAS Number:
18253-54-8
Molecular Formula:
C32H16Cl2N8Sn
Molecular Weight:
702.1300
MDL Number:
MFCD00054210
IUPAC Name:
38,38-dichloro-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
InChI:
InChI=1S/C32H16N8.2ClH.Sn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;/h1-16H;2*1H;/q-2;;;+4/p-2
InChI Key:
BBRNKSXHHJRNHK-UHFFFAOYSA-L
SMILES:
Cl[Sn]1(Cl)n2c3N=C4N=C(N=c5n1c(=NC1=NC(=Nc2c2c3cccc2)c2c1cccc2)c1c5cccc1)c1c4cccc1
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
701.99g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
702.146g/mol
Monoisotopic Mass:
701.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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