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119581-34-9 | 4-Pyridazinecarboxylic acid, 3-(phenylamino)-, methyl ester
CAS No: 119581-34-9 Catalog No: AG000IYX MDL No:
Product Description
Catalog Number:
AG000IYX
Chemical Name:
4-Pyridazinecarboxylic acid, 3-(phenylamino)-, methyl ester
CAS Number:
119581-34-9
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
methyl 3-anilinopyridazine-4-carboxylate
InChI:
InChI=1S/C12H11N3O2/c1-17-12(16)10-7-8-13-15-11(10)14-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChI Key:
BYHXBUQGVAANIW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnnc1Nc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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