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1259329-32-2 | 2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(phenylmethyl)amino]-, methyl ester
CAS No: 1259329-32-2 Catalog No: AG000QKJ MDL No:
Product Description
Catalog Number:
AG000QKJ
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(phenylmethyl)amino]-, methyl ester
CAS Number:
1259329-32-2
Molecular Formula:
C14H12Cl2N2O2
Molecular Weight:
311.1633
IUPAC Name:
methyl 4-(benzylamino)-3,6-dichloropyridine-2-carboxylate
InChI:
InChI=1S/C14H12Cl2N2O2/c1-20-14(19)13-12(16)10(7-11(15)18-13)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18)
InChI Key:
RCENUABOXFKZCO-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)cc(c1Cl)NCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.162g/mol
Monoisotopic Mass:
310.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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