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84623-03-0 | 3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-nitrophenyl)-
CAS No: 84623-03-0 Catalog No: AG00510R MDL No:
Product Description
Catalog Number:
AG00510R
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-nitrophenyl)-
CAS Number:
84623-03-0
Molecular Formula:
C11H9ClN4O3
Molecular Weight:
280.6672
IUPAC Name:
4-chloro-5-(methylamino)-2-(3-nitrophenyl)pyridazin-3-one
InChI:
InChI=1S/C11H9ClN4O3/c1-13-9-6-14-15(11(17)10(9)12)7-3-2-4-8(5-7)16(18)19/h2-6,13H,1H3
InChI Key:
RXTBAMAYYAWOMX-UHFFFAOYSA-N
SMILES:
CNc1cnn(c(=O)c1Cl)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.668g/mol
Monoisotopic Mass:
280.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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