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1352906-89-8 | 1,2-Benzisoxazole, 6-iodo-
CAS No: 1352906-89-8 Catalog No: AG00397X MDL No:
Product Description
Catalog Number:
AG00397X
Chemical Name:
1,2-Benzisoxazole, 6-iodo-
CAS Number:
1352906-89-8
Molecular Formula:
C7H4INO
Molecular Weight:
245.0172
IUPAC Name:
6-iodo-1,2-benzoxazole
InChI:
InChI=1S/C7H4INO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
InChI Key:
XRHGQXXQOBHPSC-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)onc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.934g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.019g/mol
Monoisotopic Mass:
244.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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