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76748-71-5 | Ethanone, 1-(4-hydroxy-3-iodo-5-nitrophenyl)-
CAS No: 76748-71-5 Catalog No: AG005ABQ MDL No:
Product Description
Catalog Number:
AG005ABQ
Chemical Name:
Ethanone, 1-(4-hydroxy-3-iodo-5-nitrophenyl)-
CAS Number:
76748-71-5
Molecular Formula:
C8H6INO4
Molecular Weight:
307.0420
IUPAC Name:
1-(4-hydroxy-3-iodo-5-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6INO4/c1-4(11)5-2-6(9)8(12)7(3-5)10(13)14/h2-3,12H,1H3
InChI Key:
YIEGUNJQDBRUHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)I)C(=O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.934g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.043g/mol
Monoisotopic Mass:
306.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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