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Home > Other Heterocycles > 937612-36-7
937612-36-7 | 5-Tosyl-2-oxa-5-azabicyclo[2.2.1]heptane
CAS No: 937612-36-7 Catalog No: AG006EBU MDL No:MFCD08693692
Product Description
Catalog Number:
AG006EBU
Chemical Name:
5-Tosyl-2-oxa-5-azabicyclo[2.2.1]heptane
CAS Number:
937612-36-7
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
MDL Number:
MFCD08693692
IUPAC Name:
5-(4-methylphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
InChI:
InChI=1S/C12H15NO3S/c1-9-2-4-12(5-3-9)17(14,15)13-7-11-6-10(13)8-16-11/h2-5,10-11H,6-8H2,1H3
InChI Key:
DGJPYYSNZWXYAJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2CC1CO2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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