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51839-15-7 | Dimethyl 5-iodoisophthalate
CAS No: 51839-15-7 Catalog No: AG0037Q4 MDL No:MFCD00079753
Product Description
Catalog Number:
AG0037Q4
Chemical Name:
Dimethyl 5-iodoisophthalate
CAS Number:
51839-15-7
Molecular Formula:
C10H9IO4
Molecular Weight:
320.0805
MDL Number:
MFCD00079753
IUPAC Name:
dimethyl 5-iodobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H9IO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
InChI Key:
DIAONVDUSXRXCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)cc(c1)C(=O)OC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.082g/mol
Monoisotopic Mass:
319.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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