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87828-91-9 | 1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)-
CAS No: 87828-91-9 Catalog No: AG004ENY MDL No:
Product Description
Catalog Number:
AG004ENY
Chemical Name:
1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)-
CAS Number:
87828-91-9
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
3-(2,6-dimethylphenyl)-1,2-benzoxazole
InChI:
InChI=1S/C15H13NO/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)17-16-15/h3-9H,1-2H3
InChI Key:
BQZDSCDXHRFDII-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1c1noc2c1cccc2)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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