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Home > Bromides > 1142192-55-9
1142192-55-9 | 2-Pyridinecarboxylic acid, 5-bromo-3-methoxy-, methyl ester
CAS No: 1142192-55-9 Catalog No: AG000AUM MDL No:MFCD12026771
Product Description
Catalog Number:
AG000AUM
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-3-methoxy-, methyl ester
CAS Number:
1142192-55-9
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD12026771
IUPAC Name:
methyl 5-bromo-3-methoxypyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO3/c1-12-6-3-5(9)4-10-7(6)8(11)13-2/h3-4H,1-2H3
InChI Key:
SSIURRLLLWFNCI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1OC)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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