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87828-92-0 | 1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)-
CAS No: 87828-92-0 Catalog No: AG004H7W MDL No:
Product Description
Catalog Number:
AG004H7W
Chemical Name:
1,2-Benzisoxazole, 3-(2,6-dichlorophenyl)-
CAS Number:
87828-92-0
Molecular Formula:
C13H7Cl2NO
Molecular Weight:
264.1068
IUPAC Name:
3-(2,6-dichlorophenyl)-1,2-benzoxazole
InChI:
InChI=1S/C13H7Cl2NO/c14-9-5-3-6-10(15)12(9)13-8-4-1-2-7-11(8)17-16-13/h1-7H
InChI Key:
WEETZFYEJCKAFN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1c1noc2c1cccc2)Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.105g/mol
Monoisotopic Mass:
262.99g/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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