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23576-24-1 | 3(2H)-Pyridazinone, 5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]-
CAS No: 23576-24-1 Catalog No: AG002NQL MDL No:
Product Description
Catalog Number:
AG002NQL
Chemical Name:
3(2H)-Pyridazinone, 5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]-
CAS Number:
23576-24-1
Molecular Formula:
C11H7ClF3N3O
Molecular Weight:
289.6410
IUPAC Name:
5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
InChI:
InChI=1S/C11H7ClF3N3O/c12-9-8(16)5-17-18(10(9)19)7-3-1-2-6(4-7)11(13,14)15/h1-5H,16H2
InChI Key:
JIEQNXJEEHWIDV-UHFFFAOYSA-N
SMILES:
Nc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.642g/mol
Monoisotopic Mass:
289.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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