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Home > Fluorides > 1268512-14-6
1268512-14-6 | Carbamic acid, N-[(1R,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-, 1,1-dimethylethyl ester, rel-
CAS No: 1268512-14-6 Catalog No: AG000TBO MDL No:
Product Description
Catalog Number:
AG000TBO
Chemical Name:
Carbamic acid, N-[(1R,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-, 1,1-dimethylethyl ester, rel-
CAS Number:
1268512-14-6
Molecular Formula:
C11H20FNO3
Molecular Weight:
233.2798
IUPAC Name:
tert-butyl N-[(1R,2R,4S)-2-fluoro-4-hydroxycyclohexyl]carbamate
InChI:
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8+,9+/m0/s1
InChI Key:
SSJLYZCXMMQWCU-DJLDLDEBSA-N
SMILES:
O[C@H]1CC[C@H]([C@@H](C1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
233.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.283g/mol
Monoisotopic Mass:
233.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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