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1005077-72-4 | benzyl N-{2-iodo-5-oxo-4-oxatricyclo[4.2.1.0,3,7]nonan-9-yl}carbamate
CAS No: 1005077-72-4 Catalog No: AG019Q82 MDL No:MFCD09040744
Product Description
Catalog Number:
AG019Q82
Chemical Name:
benzyl N-{2-iodo-5-oxo-4-oxatricyclo[4.2.1.0,3,7]nonan-9-yl}carbamate
CAS Number:
1005077-72-4
Molecular Formula:
C16H16INO4
Molecular Weight:
413.2070
MDL Number:
MFCD09040744
IUPAC Name:
benzyl N-(2-iodo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)carbamate
InChI:
InChI=1S/C16H16INO4/c17-12-10-6-9-11(15(19)22-14(9)12)13(10)18-16(20)21-7-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2,(H,18,20)
InChI Key:
XBTHKQKFXVBAQV-UHFFFAOYSA-N
SMILES:
O=C(NC1C2CC3C1C(=O)OC3C2I)OCc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.012g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.211g/mol
Monoisotopic Mass:
413.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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