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7007-64-9 | Naphth[2,1-d]isoxazole, 3-phenyl-
CAS No: 7007-64-9 Catalog No: AG005R6O MDL No:
Product Description
Catalog Number:
AG005R6O
Chemical Name:
Naphth[2,1-d]isoxazole, 3-phenyl-
CAS Number:
7007-64-9
Molecular Formula:
C17H11NO
Molecular Weight:
245.2753
IUPAC Name:
3-phenylbenzo[g][1,2]benzoxazole
InChI:
InChI=1S/C17H11NO/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)17(15)19-18-16/h1-11H
InChI Key:
DJRKMOOYTWKHOE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1noc2c1ccc1c2cccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.281g/mol
Monoisotopic Mass:
245.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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