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18071-51-7 | Benzoic acid, 5-bromo-2-hydroxy-3-iodo-, methyl ester
CAS No: 18071-51-7 Catalog No: AG002297 MDL No:MFCD00464941
Product Description
Catalog Number:
AG002297
Chemical Name:
Benzoic acid, 5-bromo-2-hydroxy-3-iodo-, methyl ester
CAS Number:
18071-51-7
Molecular Formula:
C8H6BrIO3
Molecular Weight:
356.9399
MDL Number:
MFCD00464941
IUPAC Name:
methyl 5-bromo-2-hydroxy-3-iodobenzoate
InChI:
InChI=1S/C8H6BrIO3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
InChI Key:
VSSVFOUMITYFEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1O)I
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.855g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.941g/mol
Monoisotopic Mass:
355.855g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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