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14192-13-3 | Methyl 2,5-diiodobenzoate
CAS No: 14192-13-3 Catalog No: AG01FFI9 MDL No:MFCD21337409
Product Description
Catalog Number:
AG01FFI9
Chemical Name:
Methyl 2,5-diiodobenzoate
CAS Number:
14192-13-3
Molecular Formula:
C8H6I2O2
Molecular Weight:
387.9410
MDL Number:
MFCD21337409
IUPAC Name:
methyl 2,5-diiodobenzoate
InChI:
InChI=1S/C8H6I2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key:
DYYAKMJJKVLJFN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)ccc1I
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.846g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.943g/mol
Monoisotopic Mass:
387.846g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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