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88829-56-5 | Pyrene, 2,7-bis(1,1-dimethylethyl)-1-nitro-
CAS No: 88829-56-5 Catalog No: AG004C44 MDL No:
Product Description
Catalog Number:
AG004C44
Chemical Name:
Pyrene, 2,7-bis(1,1-dimethylethyl)-1-nitro-
CAS Number:
88829-56-5
Molecular Formula:
C24H25NO2
Molecular Weight:
359.4608
IUPAC Name:
2,7-ditert-butyl-1-nitropyrene
InChI:
InChI=1S/C24H25NO2/c1-23(2,3)17-11-14-7-8-16-13-19(24(4,5)6)22(25(26)27)18-10-9-15(12-17)20(14)21(16)18/h7-13H,1-6H3
InChI Key:
LIQPHRZQGMLRHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c2ccc3c4c2c(cc1C(C)(C)C)ccc4cc(c3)C(C)(C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.469g/mol
Monoisotopic Mass:
359.189g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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