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292-90-0 | 1,5-Diazocine
CAS No: 292-90-0 Catalog No: AG002XO9 MDL No:
Product Description
Catalog Number:
AG002XO9
Chemical Name:
1,5-Diazocine
CAS Number:
292-90-0
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
1,5-diazocine
InChI:
InChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-6H
InChI Key:
LLLMDRXIQZOTJE-UHFFFAOYSA-N
SMILES:
C1=CC=NC=CC=N1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.4
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