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Home > Bromides > 1216949-97-1
1216949-97-1 | 5-Bromo-6-(piperidin-4-ylmethoxy)nicotinic acid
CAS No: 1216949-97-1 Catalog No: AG01F9R0 MDL No:
Product Description
Catalog Number:
AG01F9R0
Chemical Name:
5-Bromo-6-(piperidin-4-ylmethoxy)nicotinic acid
CAS Number:
1216949-97-1
Molecular Formula:
C12H15BrN2O3
Molecular Weight:
315.1631
IUPAC Name:
5-bromo-6-(piperidin-4-ylmethoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H15BrN2O3/c13-10-5-9(12(16)17)6-15-11(10)18-7-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2,(H,16,17)
InChI Key:
FCRIVGOXAKBRDX-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1OCC1CCNCC1)C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.167g/mol
Monoisotopic Mass:
314.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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