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Home > Fluorides > 1172623-98-1
1172623-98-1 | Carbamic acid, N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS No: 1172623-98-1 Catalog No: AG000DZW MDL No:
Product Description
Catalog Number:
AG000DZW
Chemical Name:
Carbamic acid, N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS Number:
1172623-98-1
Molecular Formula:
C16H19F2NO3
Molecular Weight:
311.3238
IUPAC Name:
tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
InChI:
InChI=1S/C16H19F2NO3/c1-16(2,3)22-15(20)19-13-5-4-8-21-14(13)11-9-10(17)6-7-12(11)18/h4,6-9,13-14H,5H2,1-3H3,(H,19,20)/t13-,14+/m0/s1
InChI Key:
OLXPRJZWYJVTID-UONOGXRCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CC=CO[C@@H]1c1cc(F)ccc1F
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
311.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.329g/mol
Monoisotopic Mass:
311.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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