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292-84-2 | 1,4-Diazocine (8CI,9CI)
CAS No: 292-84-2 Catalog No: AG002XOB MDL No:
Product Description
Catalog Number:
AG002XOB
Chemical Name:
1,4-Diazocine (8CI,9CI)
CAS Number:
292-84-2
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
1,4-diazocine
InChI:
InChI=1S/C6H6N2/c1-2-4-8-6-5-7-3-1/h1-6H
InChI Key:
SBTYJUZFGGEWNU-UHFFFAOYSA-N
SMILES:
C1=CN=CC=NC=C1
Properties
Complexity:
143
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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