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26228-96-6 | 2(1H)-Azocinone, 3,3-dichlorohexahydro-
CAS No: 26228-96-6 Catalog No: AG002SCJ MDL No:
Product Description
Catalog Number:
AG002SCJ
Chemical Name:
2(1H)-Azocinone, 3,3-dichlorohexahydro-
CAS Number:
26228-96-6
Molecular Formula:
C7H11Cl2NO
Molecular Weight:
196.0743
IUPAC Name:
3,3-dichloroazocan-2-one
InChI:
InChI=1S/C7H11Cl2NO/c8-7(9)4-2-1-3-5-10-6(7)11/h1-5H2,(H,10,11)
InChI Key:
BOXXLIUQRAXHDO-UHFFFAOYSA-N
SMILES:
O=C1NCCCCCC1(Cl)Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.071g/mol
Monoisotopic Mass:
195.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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