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105562-17-2

105562-17-2 | 4,9-Epoxynaphth[2,3-d]isoxazole, 3a,4,9,9a-tetrahydro-3-phenyl-

CAS No: 105562-17-2 Catalog No: AG0084K9 MDL No:

Product Description

Catalog Number:
AG0084K9
Chemical Name:
4,9-Epoxynaphth[2,3-d]isoxazole, 3a,4,9,9a-tetrahydro-3-phenyl-
CAS Number:
105562-17-2
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
12-phenyl-10,14-dioxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6,11-tetraene
InChI:
InChI=1S/C17H13NO2/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16(19-15)17(13)20-18-14/h1-9,13,15-17H
InChI Key:
SVIFRGZAVGAWDP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOC2C1C1OC2c2c1cccc2

Properties

Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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