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168787-24-4 | 1,2-Benzisoxazole, 2,3-dihydro-3-phenyl-
CAS No: 168787-24-4 Catalog No: AG001YAN MDL No:
Product Description
Catalog Number:
AG001YAN
Chemical Name:
1,2-Benzisoxazole, 2,3-dihydro-3-phenyl-
CAS Number:
168787-24-4
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
3-phenyl-2,3-dihydro-1,2-benzoxazole
InChI:
InChI=1S/C13H11NO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13/h1-9,13-14H
InChI Key:
NSUVTAVWWGYTPW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NOc2c1cccc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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