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Home > Nitro Compounds > 88829-57-6
88829-57-6 | Pyrene, 2,7-bis(1,1-dimethylethyl)-1,3-dinitro-
CAS No: 88829-57-6 Catalog No: AG004C43 MDL No:
Product Description
Catalog Number:
AG004C43
Chemical Name:
Pyrene, 2,7-bis(1,1-dimethylethyl)-1,3-dinitro-
CAS Number:
88829-57-6
Molecular Formula:
C24H24N2O4
Molecular Weight:
404.4584
IUPAC Name:
2,7-ditert-butyl-1,3-dinitropyrene
InChI:
InChI=1S/C24H24N2O4/c1-23(2,3)15-11-13-7-9-16-19-17(10-8-14(12-15)18(13)19)22(26(29)30)20(24(4,5)6)21(16)25(27)28/h7-12H,1-6H3
InChI Key:
VCDDBSAEYVFTHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c2ccc3c4c2c(c(c1C(C)(C)C)[N+](=O)[O-])ccc4cc(c3)C(C)(C)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.466g/mol
Monoisotopic Mass:
404.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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