tert-butyl N-[8-(trifluoromethyl)quinolin-3-yl]carbamate


Chemical Name: tert-butyl N-[8-(trifluoromethyl)quinolin-3-yl]carbamate
CAS Number: 1447607-03-5
Product Number: AG00AS0L(AGN-PC-0JK1YP)
Synonyms:
MDL No:
Molecular Formula: C15H15F3N2O2
Molecular Weight: 312.2870096

Identification/Properties


Computed Properties
Molecular Weight:
312.292g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
312.109g/mol
Monoisotopic Mass:
312.109g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
407
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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