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321596-58-1 | 6-Bromo-3-hydroxypicolinic acid
CAS No: 321596-58-1 Catalog No: AG003820 MDL No:MFCD18072573
Product Description
Catalog Number:
AG003820
Chemical Name:
6-Bromo-3-hydroxypicolinic acid
CAS Number:
321596-58-1
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD18072573
IUPAC Name:
6-bromo-3-hydroxypyridine-2-carboxylic acid
InChI:
InChI=1S/C6H4BrNO3/c7-4-2-1-3(9)5(8-4)6(10)11/h1-2,9H,(H,10,11)
InChI Key:
FSFPFQLFCVKWTG-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(n1)C(=O)O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.006g/mol
Monoisotopic Mass:
216.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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