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Home > Nitro Compounds > 18063-86-0
18063-86-0 | 2H-Quinolizine, octahydro-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 18063-86-0 Catalog No: AG00226L MDL No:
Product Description
Catalog Number:
AG00226L
Chemical Name:
2H-Quinolizine, octahydro-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
18063-86-0
Molecular Formula:
C15H20N4O7
Molecular Weight:
368.3419
IUPAC Name:
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2,4,6-trinitrophenol
InChI:
InChI=1S/C9H17N.C6H3N3O7/c1-3-7-10-8-4-2-6-9(10)5-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9H,1-8H2;1-2,10H
InChI Key:
UBPKWFYOXCECAB-UHFFFAOYSA-N
SMILES:
C1CCN2C(C1)CCCC2.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
NSC Number:
100167
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.133g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.346g/mol
Monoisotopic Mass:
368.133g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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