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1160994-90-0 | 2-Pyridinecarboxylic acid, 5-bromo-3-hydroxy-
CAS No: 1160994-90-0 Catalog No: AG000BMR MDL No:MFCD12400775
Product Description
Catalog Number:
AG000BMR
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-3-hydroxy-
CAS Number:
1160994-90-0
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD12400775
IUPAC Name:
5-bromo-3-hydroxypyridine-2-carboxylic acid
InChI:
InChI=1S/C6H4BrNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11)
InChI Key:
KNYSNNRQXSFAGE-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)O)C(=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:
1.6
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