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Home > Nitro Compounds > 64974-37-4
64974-37-4 | 3,7-Diazabicyclo[3.3.1]nonane, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 64974-37-4 Catalog No: AG00H77C MDL No:
Product Description
Catalog Number:
AG00H77C
Chemical Name:
3,7-Diazabicyclo[3.3.1]nonane, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
64974-37-4
Molecular Formula:
C13H17N5O7
Molecular Weight:
355.3034
IUPAC Name:
3,7-diazabicyclo[3.3.1]nonane;2,4,6-trinitrophenol
InChI:
InChI=1S/C7H14N2.C6H3N3O7/c1-6-2-8-4-7(1)5-9-3-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9H,1-5H2;1-2,10H
InChI Key:
JWHWQADDLBQCLQ-UHFFFAOYSA-N
SMILES:
N1CC2CNCC(C1)C2.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.113g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
355.307g/mol
Monoisotopic Mass:
355.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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