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1260656-72-1 | Carbamic acid, N-[4-(trifluoromethyl)-4-piperidinyl]-, phenylmethyl ester
CAS No: 1260656-72-1 Catalog No: AG000QZ2 MDL No:MFCD11848168
Product Description
Catalog Number:
AG000QZ2
Chemical Name:
Carbamic acid, N-[4-(trifluoromethyl)-4-piperidinyl]-, phenylmethyl ester
CAS Number:
1260656-72-1
Molecular Formula:
C14H17F3N2O2
Molecular Weight:
302.2922
MDL Number:
MFCD11848168
IUPAC Name:
benzyl N-[4-(trifluoromethyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C14H17F3N2O2/c15-14(16,17)13(6-8-18-9-7-13)19-12(20)21-10-11-4-2-1-3-5-11/h1-5,18H,6-10H2,(H,19,20)
InChI Key:
PNYBYVZQVFXJCE-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCNCC1)C(F)(F)F)OCc1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.297g/mol
Monoisotopic Mass:
302.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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