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87977-06-8 | 3-Pyridazinecarboxamide, 6-[[[(4-chlorophenyl)amino]carbonyl]amino]-
CAS No: 87977-06-8 Catalog No: AG004P5X MDL No:
Product Description
Catalog Number:
AG004P5X
Chemical Name:
3-Pyridazinecarboxamide, 6-[[[(4-chlorophenyl)amino]carbonyl]amino]-
CAS Number:
87977-06-8
Molecular Formula:
C12H10ClN5O2
Molecular Weight:
291.6931
IUPAC Name:
6-[(4-chlorophenyl)carbamoylamino]pyridazine-3-carboxamide
InChI:
InChI=1S/C12H10ClN5O2/c13-7-1-3-8(4-2-7)15-12(20)16-10-6-5-9(11(14)19)17-18-10/h1-6H,(H2,14,19)(H2,15,16,18,20)
InChI Key:
DAOWMLPTKOBCQD-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(nn1)C(=O)N)Nc1ccc(cc1)Cl
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.695g/mol
Monoisotopic Mass:
291.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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