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Home > Bromides > 1256813-81-6
1256813-81-6 | 3-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester
CAS No: 1256813-81-6 Catalog No: AG000OFL MDL No:
Product Description
Catalog Number:
AG000OFL
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester
CAS Number:
1256813-81-6
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
IUPAC Name:
methyl 5-bromo-4-methoxypyridine-3-carboxylate
InChI:
InChI=1S/C8H8BrNO3/c1-12-7-5(8(11)13-2)3-10-4-6(7)9/h3-4H,1-2H3
InChI Key:
HGLPMWXKWRGQLY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1OC)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:
1.4
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