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25252-00-0 | 2-bromo-5-iodobenzoic acid
CAS No: 25252-00-0 Catalog No: AG0035UQ MDL No:MFCD00079716
Product Description
Catalog Number:
AG0035UQ
Chemical Name:
2-bromo-5-iodobenzoic acid
CAS Number:
25252-00-0
Molecular Formula:
C7H4BrIO2
Molecular Weight:
326.9139
MDL Number:
MFCD00079716
IUPAC Name:
2-bromo-5-iodobenzoic acid
InChI:
InChI=1S/C7H4BrIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
QPKKBDSNZFSSOD-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.844g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.915g/mol
Monoisotopic Mass:
325.844g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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