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Home > Bromides > 1216435-59-4
1216435-59-4 | 5-Bromo-2-(piperidin-4-ylmethoxy)nicotinic acid
CAS No: 1216435-59-4 Catalog No: AG01F9QX MDL No:
Product Description
Catalog Number:
AG01F9QX
Chemical Name:
5-Bromo-2-(piperidin-4-ylmethoxy)nicotinic acid
CAS Number:
1216435-59-4
Molecular Formula:
C12H15BrN2O3
Molecular Weight:
315.1631
IUPAC Name:
5-bromo-2-(piperidin-4-ylmethoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H15BrN2O3/c13-9-5-10(12(16)17)11(15-6-9)18-7-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2,(H,16,17)
InChI Key:
VFQHFZMMKPWPRH-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C(=O)O)OCC1CCNCC1
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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