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87374-78-5 | 1-PIPERIDINECARBOXYLIC ACID 2,4-DICHLORO-5-(2-PROPYNYLOXY)PHENYL ESTER
CAS No: 87374-78-5 Catalog No: AG004GX4 MDL No:
Product Description
Catalog Number:
AG004GX4
Chemical Name:
1-PIPERIDINECARBOXYLIC ACID 2,4-DICHLORO-5-(2-PROPYNYLOXY)PHENYL ESTER
CAS Number:
87374-78-5
Molecular Formula:
C15H15Cl2NO3
Molecular Weight:
328.1905
IUPAC Name:
(2,4-dichloro-5-prop-2-ynoxyphenyl) piperidine-1-carboxylate
InChI:
InChI=1S/C15H15Cl2NO3/c1-2-8-20-13-10-14(12(17)9-11(13)16)21-15(19)18-6-4-3-5-7-18/h1,9-10H,3-8H2
InChI Key:
XWGKVWPESLAFQV-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(OC(=O)N2CCCCC2)c(cc1Cl)Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.189g/mol
Monoisotopic Mass:
327.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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