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97937-84-3 | 1,2-Benzisoxazole, 3-phenyl-, 2-oxide
CAS No: 97937-84-3 Catalog No: AG00H6XJ MDL No:
Product Description
Catalog Number:
AG00H6XJ
Chemical Name:
1,2-Benzisoxazole, 3-phenyl-, 2-oxide
CAS Number:
97937-84-3
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
2-oxido-3-phenyl-1,2-benzoxazol-2-ium
InChI:
InChI=1S/C13H9NO2/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H
InChI Key:
PTUZTCIWMZSRGE-UHFFFAOYSA-N
SMILES:
[O-][n+]1oc2c(c1c1ccccc1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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