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119805-52-6 | 2-Pyridinecarboxylic acid, 3,6-dichloro-, decyl ester
CAS No: 119805-52-6 Catalog No: AG000POB MDL No:
Product Description
Catalog Number:
AG000POB
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dichloro-, decyl ester
CAS Number:
119805-52-6
Molecular Formula:
C16H23Cl2NO2
Molecular Weight:
332.2653
IUPAC Name:
decyl 3,6-dichloropyridine-2-carboxylate
InChI:
InChI=1S/C16H23Cl2NO2/c1-2-3-4-5-6-7-8-9-12-21-16(20)15-13(17)10-11-14(18)19-15/h10-11H,2-9,12H2,1H3
InChI Key:
CBLCSWNYVSKUON-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)c1nc(Cl)ccc1Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.265g/mol
Monoisotopic Mass:
331.111g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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