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Home > Fluorides > 1713160-81-6
1713160-81-6 | tert-Butyl (1R*,4R*)-4-(7-fluoro-1-oxoisoindolin-2-yl)cyclohexylcarbamate
CAS No: 1713160-81-6 Catalog No: AG01F4ND MDL No:
Product Description
Catalog Number:
AG01F4ND
Chemical Name:
tert-Butyl (1R*,4R*)-4-(7-fluoro-1-oxoisoindolin-2-yl)cyclohexylcarbamate
CAS Number:
1713160-81-6
Molecular Formula:
C19H25FN2O3
Molecular Weight:
348.4118
IUPAC Name:
tert-butyl N-[4-(4-fluoro-3-oxo-1H-isoindol-2-yl)cyclohexyl]carbamate
InChI:
InChI=1S/C19H25FN2O3/c1-19(2,3)25-18(24)21-13-7-9-14(10-8-13)22-11-12-5-4-6-15(20)16(12)17(22)23/h4-6,13-14H,7-11H2,1-3H3,(H,21,24)
InChI Key:
XMQPIYIOYAGXML-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)N1Cc2c(C1=O)c(F)ccc2
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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