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114333-03-8 | 3(2H)-Pyridazinone, 6-chloro-5-methoxy-
CAS No: 114333-03-8 Catalog No: AG000B39 MDL No:MFCD04971422
Product Description
Catalog Number:
AG000B39
Chemical Name:
3(2H)-Pyridazinone, 6-chloro-5-methoxy-
CAS Number:
114333-03-8
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD04971422
IUPAC Name:
3-chloro-4-methoxy-1H-pyridazin-6-one
InChI:
InChI=1S/C5H5ClN2O2/c1-10-3-2-4(9)7-8-5(3)6/h2H,1H3,(H,7,9)
InChI Key:
FYTFUYWXLRXRAZ-UHFFFAOYSA-N
SMILES:
COc1cc(=O)[nH]nc1Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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