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85385-50-8 | 1-Triazene, 3-(4-chlorophenyl)-1-propyl-, 1-oxide
CAS No: 85385-50-8 Catalog No: AG004OXH MDL No:
Product Description
Catalog Number:
AG004OXH
Chemical Name:
1-Triazene, 3-(4-chlorophenyl)-1-propyl-, 1-oxide
CAS Number:
85385-50-8
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
IUPAC Name:
[(4-chlorophenyl)hydrazinylidene]-oxido-propylazanium
InChI:
InChI=1S/C9H12ClN3O/c1-2-7-13(14)12-11-9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3
InChI Key:
XCACCNTWEVBYAI-UHFFFAOYSA-N
SMILES:
CCC[N+](=NNc1ccc(cc1)Cl)[O-]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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