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80591-70-4 | 4-Pyridazinol, 6-chloro-3-(3,4-dichlorophenyl)-
CAS No: 80591-70-4 Catalog No: AG005KEU MDL No:
Product Description
Catalog Number:
AG005KEU
Chemical Name:
4-Pyridazinol, 6-chloro-3-(3,4-dichlorophenyl)-
CAS Number:
80591-70-4
Molecular Formula:
C10H5Cl3N2O
Molecular Weight:
275.5185
IUPAC Name:
6-chloro-3-(3,4-dichlorophenyl)-1H-pyridazin-4-one
InChI:
InChI=1S/C10H5Cl3N2O/c11-6-2-1-5(3-7(6)12)10-8(16)4-9(13)14-15-10/h1-4H,(H,14,16)
InChI Key:
YPQLVOXNLZGPPL-UHFFFAOYSA-N
SMILES:
Clc1nnc(c(c1)O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.947g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.513g/mol
Monoisotopic Mass:
273.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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