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Home > Other Heterocycles > 188624-97-7
188624-97-7 | Benzenemethanol, 4-(7-azabicyclo[2.2.1]hept-7-ylsulfonyl)-
CAS No: 188624-97-7 Catalog No: AG002H2H MDL No:
Product Description
Catalog Number:
AG002H2H
Chemical Name:
Benzenemethanol, 4-(7-azabicyclo[2.2.1]hept-7-ylsulfonyl)-
CAS Number:
188624-97-7
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
[4-(7-azabicyclo[2.2.1]heptan-7-ylsulfonyl)phenyl]methanol
InChI:
InChI=1S/C13H17NO3S/c15-9-10-1-7-13(8-2-10)18(16,17)14-11-3-4-12(14)6-5-11/h1-2,7-8,11-12,15H,3-6,9H2
InChI Key:
WCBHNRHITPEIAP-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)S(=O)(=O)N1C2CCC1CC2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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