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89581-57-7 | 3-Pyridazinecarbonylchloride, 1,6-dihydro-1-methyl-6-oxo-
CAS No: 89581-57-7 Catalog No: AG003XOL MDL No:
Product Description
Catalog Number:
AG003XOL
Chemical Name:
3-Pyridazinecarbonylchloride, 1,6-dihydro-1-methyl-6-oxo-
CAS Number:
89581-57-7
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
IUPAC Name:
1-methyl-6-oxopyridazine-3-carbonyl chloride
InChI:
InChI=1S/C6H5ClN2O2/c1-9-5(10)3-2-4(8-9)6(7)11/h2-3H,1H3
InChI Key:
SQOLVLPNTTWTOT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(=O)n(n1)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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