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Home > Nitro Compounds > 88538-47-0
88538-47-0 | 1,5-Diazocine, octahydro-1-(1-methylethyl)-3,3,5,7,7-pentanitro-
CAS No: 88538-47-0 Catalog No: AG00456C MDL No:
Product Description
Catalog Number:
AG00456C
Chemical Name:
1,5-Diazocine, octahydro-1-(1-methylethyl)-3,3,5,7,7-pentanitro-
CAS Number:
88538-47-0
Molecular Formula:
C9H15N7O10
Molecular Weight:
381.2563
IUPAC Name:
1,3,3,7,7-pentanitro-5-propan-2-yl-1,5-diazocane
InChI:
InChI=1S/C9H15N7O10/c1-7(2)10-3-8(12(17)18,13(19)20)5-11(16(25)26)6-9(4-10,14(21)22)15(23)24/h7H,3-6H2,1-2H3
InChI Key:
RTEJFPQIUYZLNU-UHFFFAOYSA-N
SMILES:
CC(N1CC(CN(CC(C1)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.088g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.258g/mol
Monoisotopic Mass:
381.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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