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88093-84-9 | 3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylmethoxy)-
CAS No: 88093-84-9 Catalog No: AG004EHH MDL No:
Product Description
Catalog Number:
AG004EHH
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylmethoxy)-
CAS Number:
88093-84-9
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
IUPAC Name:
4-chloro-2-methyl-5-phenylmethoxypyridazin-3-one
InChI:
InChI=1S/C12H11ClN2O2/c1-15-12(16)11(13)10(7-14-15)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChI Key:
BXZOWUVWSYBGMK-UHFFFAOYSA-N
SMILES:
Cn1ncc(c(c1=O)Cl)OCc1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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