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Home > Bromides > 1220422-10-5
1220422-10-5 | 3-Pyridinecarboxylic acid, 5-bromo-2-(methylthio)-
CAS No: 1220422-10-5 Catalog No: AG0016OC MDL No:
Product Description
Catalog Number:
AG0016OC
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-2-(methylthio)-
CAS Number:
1220422-10-5
Molecular Formula:
C7H6BrNO2S
Molecular Weight:
248.0970
IUPAC Name:
5-bromo-2-methylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6BrNO2S/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
InChI Key:
JQTCTMUKQWAJNV-UHFFFAOYSA-N
SMILES:
CSc1ncc(cc1C(=O)O)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.094g/mol
Monoisotopic Mass:
246.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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