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886499-25-8 | Benzoic acid, 2-formyl-5-iodo-
CAS No: 886499-25-8 Catalog No: AG008A4O MDL No:MFCD06739599
Product Description
Catalog Number:
AG008A4O
Chemical Name:
Benzoic acid, 2-formyl-5-iodo-
CAS Number:
886499-25-8
Molecular Formula:
C8H5IO3
Molecular Weight:
276.0280
MDL Number:
MFCD06739599
IUPAC Name:
2-formyl-5-iodobenzoic acid
InChI:
InChI=1S/C8H5IO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)
InChI Key:
FWROVMGDQOJNKM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C(=O)O)I
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:
1.7
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