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234098-50-1 | 3-Pyridinecarboxylic acid, 5-(bromomethyl)-6-methoxy-, methyl ester
CAS No: 234098-50-1 Catalog No: AG002N52 MDL No:
Product Description
Catalog Number:
AG002N52
Chemical Name:
3-Pyridinecarboxylic acid, 5-(bromomethyl)-6-methoxy-, methyl ester
CAS Number:
234098-50-1
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
IUPAC Name:
methyl 5-(bromomethyl)-6-methoxypyridine-3-carboxylate
InChI:
InChI=1S/C9H10BrNO3/c1-13-8-6(4-10)3-7(5-11-8)9(12)14-2/h3,5H,4H2,1-2H3
InChI Key:
DEXOQMPZKDOYBE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)CBr)OC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.087g/mol
Monoisotopic Mass:
258.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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