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1452487-57-8 | 4-Pyridazinol, 3,6-dichloro-, hydrate (1:2)
CAS No: 1452487-57-8 Catalog No: AG001KPB MDL No:
Product Description
Catalog Number:
AG001KPB
Chemical Name:
4-Pyridazinol, 3,6-dichloro-, hydrate (1:2)
CAS Number:
1452487-57-8
Molecular Formula:
C4H6Cl2N2O3
Molecular Weight:
201.0080
IUPAC Name:
3,6-dichloro-1H-pyridazin-4-one;dihydrate
InChI:
InChI=1S/C4H2Cl2N2O.2H2O/c5-3-1-2(9)4(6)8-7-3;;/h1H,(H,7,9);2*1H2
InChI Key:
WVMYADUEIGDCQS-UHFFFAOYSA-N
SMILES:
Clc1nnc(c(c1)O)Cl.O.O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.003g/mol
Monoisotopic Mass:
199.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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