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1383481-25-1 | Benzoic acid, 3-(6-amino-4-pyridazinyl)-, methyl ester
CAS No: 1383481-25-1 Catalog No: AG0018KW MDL No:
Product Description
Catalog Number:
AG0018KW
Chemical Name:
Benzoic acid, 3-(6-amino-4-pyridazinyl)-, methyl ester
CAS Number:
1383481-25-1
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
methyl 3-(6-aminopyridazin-4-yl)benzoate
InChI:
InChI=1S/C12H11N3O2/c1-17-12(16)9-4-2-3-8(5-9)10-6-11(13)15-14-7-10/h2-7H,1H3,(H2,13,15)
InChI Key:
LOROLRDMVFLERP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cnnc(c1)N
Properties
Complexity:
273
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:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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