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1259329-29-7 | 2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(2-furanylmethyl)amino]-, methyl ester
CAS No: 1259329-29-7 Catalog No: AG000QKL MDL No:
Product Description
Catalog Number:
AG000QKL
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(2-furanylmethyl)amino]-, methyl ester
CAS Number:
1259329-29-7
Molecular Formula:
C12H10Cl2N2O3
Molecular Weight:
301.1254
IUPAC Name:
methyl 3,6-dichloro-4-(furan-2-ylmethylamino)pyridine-2-carboxylate
InChI:
InChI=1S/C12H10Cl2N2O3/c1-18-12(17)11-10(14)8(5-9(13)16-11)15-6-7-3-2-4-19-7/h2-5H,6H2,1H3,(H,15,16)
InChI Key:
YRORWHRIBLPXIK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)cc(c1Cl)NCc1ccco1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.123g/mol
Monoisotopic Mass:
300.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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