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886365-02-2 | 5-Bromo-4-methylpyridine-2-carboxylic acid
CAS No: 886365-02-2 Catalog No: AG004A1N MDL No:MFCD07375100
Product Description
Catalog Number:
AG004A1N
Chemical Name:
5-Bromo-4-methylpyridine-2-carboxylic acid
CAS Number:
886365-02-2
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD07375100
IUPAC Name:
5-bromo-4-methylpyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6BrNO2/c1-4-2-6(7(10)11)9-3-5(4)8/h2-3H,1H3,(H,10,11)
InChI Key:
RMSVDYVOLGRLNJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(c(c1)C)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:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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