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Home > Fluorides > 1456616-43-5
1456616-43-5 | Carbamic acid, N-[(2R,3R)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS No: 1456616-43-5 Catalog No: AG001D9G MDL No:
Product Description
Catalog Number:
AG001D9G
Chemical Name:
Carbamic acid, N-[(2R,3R)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS Number:
1456616-43-5
Molecular Formula:
C16H19F2NO4
Molecular Weight:
327.3232
IUPAC Name:
tert-butyl N-[(2R,3R)-2-(2,5-difluorophenyl)-5-oxooxan-3-yl]carbamate
InChI:
InChI=1S/C16H19F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,13-14H,7-8H2,1-3H3,(H,19,21)/t13-,14-/m1/s1
InChI Key:
OTCULXVRRSCLLI-ZIAGYGMSSA-N
SMILES:
O=C1CO[C@@H]([C@@H](C1)NC(=O)OC(C)(C)C)c1cc(F)ccc1F
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
327.128g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.328g/mol
Monoisotopic Mass:
327.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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