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Home > Fluorides > 1392804-92-0
1392804-92-0 | Carbamic acid, N-[4-(trifluoromethyl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1392804-92-0 Catalog No: AG001AO1 MDL No:MFCD22573369
Product Description
Catalog Number:
AG001AO1
Chemical Name:
Carbamic acid, N-[4-(trifluoromethyl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1392804-92-0
Molecular Formula:
C11H13F3N2O2
Molecular Weight:
262.2283
MDL Number:
MFCD22573369
IUPAC Name:
tert-butyl N-[4-(trifluoromethyl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C11H13F3N2O2/c1-10(2,3)18-9(17)16-8-6-15-5-4-7(8)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChI Key:
QMNYTBCUQSYLNR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cnccc1C(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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