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17417-54-8 | 4(1H)-Pyridazinone, 3-(chloromethyl)-6-methyl-
CAS No: 17417-54-8 Catalog No: AG001ZI1 MDL No:MFCD19234121
Product Description
Catalog Number:
AG001ZI1
Chemical Name:
4(1H)-Pyridazinone, 3-(chloromethyl)-6-methyl-
CAS Number:
17417-54-8
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD19234121
IUPAC Name:
3-(chloromethyl)-6-methyl-1H-pyridazin-4-one
InChI:
InChI=1S/C6H7ClN2O/c1-4-2-6(10)5(3-7)9-8-4/h2H,3H2,1H3,(H,8,10)
InChI Key:
IEKQRXFBDAXUKC-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)c(n[nH]1)CCl
NSC Number:
166904
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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