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1289015-17-3 | 3-formyl-5-iodobenzoic acid
CAS No: 1289015-17-3 Catalog No: AG01DTEE MDL No:MFCD22544374
Product Description
Catalog Number:
AG01DTEE
Chemical Name:
3-formyl-5-iodobenzoic acid
CAS Number:
1289015-17-3
Molecular Formula:
C8H5IO3
Molecular Weight:
276.0280
MDL Number:
MFCD22544374
IUPAC Name:
3-formyl-5-iodobenzoic acid
InChI:
InChI=1S/C8H5IO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12)
InChI Key:
KXXFEXDZTIEBMU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(I)cc(c1)C(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.928g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.029g/mol
Monoisotopic Mass:
275.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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