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35674-20-5 | 3,4-Diiodobenzoic acid
CAS No: 35674-20-5 Catalog No: AG0079VE MDL No:MFCD01661254
Product Description
Catalog Number:
AG0079VE
Chemical Name:
3,4-Diiodobenzoic acid
CAS Number:
35674-20-5
Molecular Formula:
C7H4I2O2
Molecular Weight:
373.9144
MDL Number:
MFCD01661254
IUPAC Name:
3,4-diiodobenzoic acid
InChI:
InChI=1S/C7H4I2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key:
DFYULHRIYLAUJM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)I
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.83g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.916g/mol
Monoisotopic Mass:
373.83g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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