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Home > Bromides > 1017782-99-8
1017782-99-8 | 3-Pyridinecarboxylic acid, 5-bromo-2-(4-morpholinyl)-, methyl ester
CAS No: 1017782-99-8 Catalog No: AG0005JG MDL No:MFCD09972266
Product Description
Catalog Number:
AG0005JG
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-2-(4-morpholinyl)-, methyl ester
CAS Number:
1017782-99-8
Molecular Formula:
C11H13BrN2O3
Molecular Weight:
301.1365
MDL Number:
MFCD09972266
IUPAC Name:
methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate
InChI:
InChI=1S/C11H13BrN2O3/c1-16-11(15)9-6-8(12)7-13-10(9)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChI Key:
BYGCHZOURDWLSG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cnc1N1CCOCC1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.14g/mol
Monoisotopic Mass:
300.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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