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19932-87-7 | 2(3H)-BENZOXAZOLONE, 6-IODO-
CAS No: 19932-87-7 Catalog No: AG00ABES MDL No:MFCD08669499
Product Description
Catalog Number:
AG00ABES
Chemical Name:
2(3H)-BENZOXAZOLONE, 6-IODO-
CAS Number:
19932-87-7
Molecular Formula:
C7H4INO2
Molecular Weight:
261.0166
MDL Number:
MFCD08669499
IUPAC Name:
6-iodo-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H4INO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:
ISXIMZPIWYVLBD-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.018g/mol
Monoisotopic Mass:
260.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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