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1279815-93-8 | 1-Piperazinecarboxylic acid, 3-(trifluoromethyl)-, phenylmethyl ester
CAS No: 1279815-93-8 Catalog No: AG000XMD MDL No:
Product Description
Catalog Number:
AG000XMD
Chemical Name:
1-Piperazinecarboxylic acid, 3-(trifluoromethyl)-, phenylmethyl ester
CAS Number:
1279815-93-8
Molecular Formula:
C13H15F3N2O2
Molecular Weight:
288.2656
IUPAC Name:
benzyl 3-(trifluoromethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H15F3N2O2/c14-13(15,16)11-8-18(7-6-17-11)12(19)20-9-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2
InChI Key:
STXURQFQMWACFK-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)C(F)(F)F)OCc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.27g/mol
Monoisotopic Mass:
288.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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