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Home > Nitro Compounds > 89139-22-0
89139-22-0 | [trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper
CAS No: 89139-22-0 Catalog No: AG00H0L1 MDL No:
Product Description
Catalog Number:
AG00H0L1
Chemical Name:
[trinitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper
CAS Number:
89139-22-0
IUPAC Name:
copper;5,6,7-trinitro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
InChI:
InChI=1S/C32H13N11O6.Cu/c44-41(45)21-13-20-22(24(43(48)49)23(21)42(46)47)32-39-30-19-12-6-5-11-18(19)28(37-30)35-26-15-8-2-1-7-14(15)25(33-26)34-27-16-9-3-4-10-17(16)29(36-27)38-31(20)40-32;/h1-13H;/q-2;+2
InChI Key:
TVQJSTQEVVDXSK-UHFFFAOYSA-N
EC Number:
289-475-5
Properties
Complexity:
1660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
710.035g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
711.073g/mol
Monoisotopic Mass:
710.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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