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882882-82-8 | 2(3H)-Benzoxazolone, 5-iodo-7-methyl-
CAS No: 882882-82-8 Catalog No: AG0049FE MDL No:
Product Description
Catalog Number:
AG0049FE
Chemical Name:
2(3H)-Benzoxazolone, 5-iodo-7-methyl-
CAS Number:
882882-82-8
Molecular Formula:
C8H6INO2
Molecular Weight:
275.0432
IUPAC Name:
5-iodo-7-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6INO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11)
InChI Key:
BMLZELRUEITLOK-UHFFFAOYSA-N
SMILES:
Cc1cc(I)cc2c1oc(=O)[nH]2
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:
1
Isotope Atom Count:
0
Molecular Weight:
275.045g/mol
Monoisotopic Mass:
274.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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