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88092-31-3 | 3,6-Pyridazinedione, 1-[(3-chlorophenyl)methyl]-1,2-dihydro-
CAS No: 88092-31-3 Catalog No: AG004EJN MDL No:
Product Description
Catalog Number:
AG004EJN
Chemical Name:
3,6-Pyridazinedione, 1-[(3-chlorophenyl)methyl]-1,2-dihydro-
CAS Number:
88092-31-3
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
IUPAC Name:
2-[(3-chlorophenyl)methyl]-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C11H9ClN2O2/c12-9-3-1-2-8(6-9)7-14-11(16)5-4-10(15)13-14/h1-6H,7H2,(H,13,15)
InChI Key:
NYBNTHLGIYWAMF-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Cn1[nH]c(=O)ccc1=O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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