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Home > Bromides > 1216587-44-8
1216587-44-8 | 5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)nicotinic acid
CAS No: 1216587-44-8 Catalog No: AG01F86R MDL No:
Product Description
Catalog Number:
AG01F86R
Chemical Name:
5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)nicotinic acid
CAS Number:
1216587-44-8
Molecular Formula:
C11H12BrNO4
Molecular Weight:
302.1213
IUPAC Name:
5-bromo-2-(oxan-4-yloxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H12BrNO4/c12-7-5-9(11(14)15)10(13-6-7)17-8-1-3-16-4-2-8/h5-6,8H,1-4H2,(H,14,15)
InChI Key:
KYIYDXUGURRORT-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C(=O)O)OC1CCOCC1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.124g/mol
Monoisotopic Mass:
300.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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