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864756-01-4 | 1,2-Benzisoxazole, 5-iodo-3-methoxy-7-methyl-
CAS No: 864756-01-4 Catalog No: AG00IE39 MDL No:
Product Description
Catalog Number:
AG00IE39
Chemical Name:
1,2-Benzisoxazole, 5-iodo-3-methoxy-7-methyl-
CAS Number:
864756-01-4
IUPAC Name:
5-iodo-3-methoxy-7-methyl-1,2-benzoxazole
InChI:
InChI=1S/C9H8INO2/c1-5-3-6(10)4-7-8(5)13-11-9(7)12-2/h3-4H,1-2H3
InChI Key:
GOGINZFWDNHPTO-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.072g/mol
Monoisotopic Mass:
288.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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