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Home > Fluorides > 1439902-97-2
1439902-97-2 | tert-Butyl (1R*,4R*)-4-(6-fluoro-1-oxoisoindolin-2-yl)cyclohexylcarbamate
CAS No: 1439902-97-2 Catalog No: AG01F4N5 MDL No:
Product Description
Catalog Number:
AG01F4N5
Chemical Name:
tert-Butyl (1R*,4R*)-4-(6-fluoro-1-oxoisoindolin-2-yl)cyclohexylcarbamate
CAS Number:
1439902-97-2
Molecular Formula:
C19H25FN2O3
Molecular Weight:
348.4118
IUPAC Name:
tert-butyl N-[4-(5-fluoro-3-oxo-1H-isoindol-2-yl)cyclohexyl]carbamate
InChI:
InChI=1S/C19H25FN2O3/c1-19(2,3)25-18(24)21-14-6-8-15(9-7-14)22-11-12-4-5-13(20)10-16(12)17(22)23/h4-5,10,14-15H,6-9,11H2,1-3H3,(H,21,24)
InChI Key:
ZOXSOJRBPNOZFU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)N1Cc2c(C1=O)cc(cc2)F
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.418g/mol
Monoisotopic Mass:
348.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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