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146032-01-1 | Hexanoic acid, 6-chloro-5-oxo-6-(2-phenylhydrazinylidene)-, methyl ester
CAS No: 146032-01-1 Catalog No: AG001DMF MDL No:
Product Description
Catalog Number:
AG001DMF
Chemical Name:
Hexanoic acid, 6-chloro-5-oxo-6-(2-phenylhydrazinylidene)-, methyl ester
CAS Number:
146032-01-1
Molecular Formula:
C13H15ClN2O3
Molecular Weight:
282.7228
IUPAC Name:
methyl 6-chloro-5-oxo-6-(phenylhydrazinylidene)hexanoate
InChI:
InChI=1S/C13H15ClN2O3/c1-19-12(18)9-5-8-11(17)13(14)16-15-10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChI Key:
COMKSQVUFSIKRM-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)C(=NNc1ccccc1)Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.724g/mol
Monoisotopic Mass:
282.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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