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Home > Nitro Compounds > 832089-06-2
832089-06-2 | 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-7,8-dinitro-
CAS No: 832089-06-2 Catalog No: AG004ZYV MDL No:
Product Description
Catalog Number:
AG004ZYV
Chemical Name:
1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-7,8-dinitro-
CAS Number:
832089-06-2
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
IUPAC Name:
4,5-dinitro-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene
InChI:
InChI=1S/C12H13N3O4/c16-14(17)11-3-9-7-1-2-8(6-13-5-7)10(9)4-12(11)15(18)19/h3-4,7-8,13H,1-2,5-6H2
InChI Key:
NMVXMYZQFGDBEA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2C3CNCC(c2cc1[N+](=O)[O-])CC3
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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