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139487-06-2 | 6-iodo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 139487-06-2 Catalog No: AG00IWRF MDL No:MFCD16710292
Product Description
Catalog Number:
AG00IWRF
Chemical Name:
6-iodo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
139487-06-2
Molecular Formula:
C8H6INO2
Molecular Weight:
275.0432
MDL Number:
MFCD16710292
IUPAC Name:
6-iodo-3-methyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6INO2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,1H3
InChI Key:
KWFBOGMGPBWGKQ-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)oc(=O)n2C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.045g/mol
Monoisotopic Mass:
274.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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