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81340-15-0 | 3,7-Diazabicyclo[3.3.1]nonane, 1,3,5,7-tetranitro-
CAS No: 81340-15-0 Catalog No: AG00532M MDL No:
Product Description
Catalog Number:
AG00532M
Chemical Name:
3,7-Diazabicyclo[3.3.1]nonane, 1,3,5,7-tetranitro-
CAS Number:
81340-15-0
Molecular Formula:
C7H10N6O8
Molecular Weight:
306.1897
IUPAC Name:
1,3,5,7-tetranitro-3,7-diazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C7H10N6O8/c14-10(15)6-1-7(11(16)17,4-8(2-6)12(18)19)5-9(3-6)13(20)21/h1-5H2
InChI Key:
HRQWQUZIGSMLOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CC2(CN(CC(C1)(C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.191g/mol
Monoisotopic Mass:
306.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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