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1031927-15-7 | Methyl 5-Bromo-2-ethoxynicotinate
CAS No: 1031927-15-7 Catalog No: AG01FEA4 MDL No:
Product Description
Catalog Number:
AG01FEA4
Chemical Name:
Methyl 5-Bromo-2-ethoxynicotinate
CAS Number:
1031927-15-7
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
IUPAC Name:
methyl 5-bromo-2-ethoxypyridine-3-carboxylate
InChI:
InChI=1S/C9H10BrNO3/c1-3-14-8-7(9(12)13-2)4-6(10)5-11-8/h4-5H,3H2,1-2H3
InChI Key:
DRYKICBAPXKRKF-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cc1C(=O)OC)Br
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:
2.1
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