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Home > Fluorides > 1253654-52-2
1253654-52-2 | Carbamic acid, N-[2-(trifluoromethyl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1253654-52-2 Catalog No: AG000NJC MDL No:MFCD18254093
Product Description
Catalog Number:
AG000NJC
Chemical Name:
Carbamic acid, N-[2-(trifluoromethyl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1253654-52-2
Molecular Formula:
C11H13F3N2O2
Molecular Weight:
262.2283
MDL Number:
MFCD18254093
IUPAC Name:
tert-butyl N-[2-(trifluoromethyl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C11H13F3N2O2/c1-10(2,3)18-9(17)16-7-5-4-6-15-8(7)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChI Key:
NZOKDVJEDILFKX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccnc1C(F)(F)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.232g/mol
Monoisotopic Mass:
262.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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