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160193-46-4 | 2,1-Benzisoxazole, 4,5,6,7-tetrahydro-3-(2-phenylethyl)-
CAS No: 160193-46-4 Catalog No: AG001RQ7 MDL No:
Product Description
Catalog Number:
AG001RQ7
Chemical Name:
2,1-Benzisoxazole, 4,5,6,7-tetrahydro-3-(2-phenylethyl)-
CAS Number:
160193-46-4
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
3-(2-phenylethyl)-4,5,6,7-tetrahydro-2,1-benzoxazole
InChI:
InChI=1S/C15H17NO/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-3,6-7H,4-5,8-11H2
InChI Key:
RBFWKMHIKHMYPP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCc1onc2c1CCCC2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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