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16825-71-1 | Benzene, 1-iodyl-3-methyl-
CAS No: 16825-71-1 Catalog No: AG001XXR MDL No:
Product Description
Catalog Number:
AG001XXR
Chemical Name:
Benzene, 1-iodyl-3-methyl-
CAS Number:
16825-71-1
Molecular Formula:
C7H7IO2
Molecular Weight:
250.0338
IUPAC Name:
1-iodyl-3-methylbenzene
InChI:
InChI=1S/C7H7IO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChI Key:
NANDQHPWMLYHFA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)[I](=O)=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.035g/mol
Monoisotopic Mass:
249.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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