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882882-83-9 | 2(3H)-Benzoxazolone, 5-iodo-3,7-dimethyl-
CAS No: 882882-83-9 Catalog No: AG004A8G MDL No:
Product Description
Catalog Number:
AG004A8G
Chemical Name:
2(3H)-Benzoxazolone, 5-iodo-3,7-dimethyl-
CAS Number:
882882-83-9
Molecular Formula:
C9H8INO2
Molecular Weight:
289.0698
IUPAC Name:
5-iodo-3,7-dimethyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H8INO2/c1-5-3-6(10)4-7-8(5)13-9(12)11(7)2/h3-4H,1-2H3
InChI Key:
FQTOFLONPNLWOD-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c2c(c1)n(C)c(=O)o2
Properties
Complexity:
234
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.072g/mol
Monoisotopic Mass:
288.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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