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74053-03-5 | 2,1-Benzisoxazole, 3-(phenylazo)-
CAS No: 74053-03-5 Catalog No: AG0059S4 MDL No:
Product Description
Catalog Number:
AG0059S4
Chemical Name:
2,1-Benzisoxazole, 3-(phenylazo)-
CAS Number:
74053-03-5
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
IUPAC Name:
2,1-benzoxazol-3-yl(phenyl)diazene
InChI:
InChI=1S/C13H9N3O/c1-2-6-10(7-3-1)14-15-13-11-8-4-5-9-12(11)16-17-13/h1-9H
InChI Key:
BEGUECTVWUYTDX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N=Nc1onc2c1cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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