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1311278-11-1 | 4-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester
CAS No: 1311278-11-1 Catalog No: AG01FGYO MDL No:
Product Description
Catalog Number:
AG01FGYO
Chemical Name:
4-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
1311278-11-1
IUPAC Name:
tert-butyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H21ClF3N3O2/c1-15(2,3)25-14(24)23-6-4-22(5-7-23)10-13-12(17)8-11(9-21-13)16(18,19)20/h8-9H,4-7,10H2,1-3H3
InChI Key:
ZPEQXYVZAIKMCW-UHFFFAOYSA-N
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.808g/mol
Monoisotopic Mass:
379.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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