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1363381-53-6 | 4-Pyridazinecarboxylic acid, 3,6-dichloro-5-methyl-, methyl ester
CAS No: 1363381-53-6 Catalog No: AG0011OF MDL No:MFCD22415200
Product Description
Catalog Number:
AG0011OF
Chemical Name:
4-Pyridazinecarboxylic acid, 3,6-dichloro-5-methyl-, methyl ester
CAS Number:
1363381-53-6
Molecular Formula:
C7H6Cl2N2O2
Molecular Weight:
221.0407
MDL Number:
MFCD22415200
IUPAC Name:
methyl 3,6-dichloro-5-methylpyridazine-4-carboxylate
InChI:
InChI=1S/C7H6Cl2N2O2/c1-3-4(7(12)13-2)6(9)11-10-5(3)8/h1-2H3
InChI Key:
PYKFCNHSDFTGQE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)nnc(c1C)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.037g/mol
Monoisotopic Mass:
219.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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