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Home > Bromides > 1216394-54-5
1216394-54-5 | 5-Bromo-6-(cyclohexyloxy)nicotinic acid
CAS No: 1216394-54-5 Catalog No: AG01FC8G MDL No:
Product Description
Catalog Number:
AG01FC8G
Chemical Name:
5-Bromo-6-(cyclohexyloxy)nicotinic acid
CAS Number:
1216394-54-5
Molecular Formula:
C12H14BrNO3
Molecular Weight:
300.1485
IUPAC Name:
5-bromo-6-cyclohexyloxypyridine-3-carboxylic acid
InChI:
InChI=1S/C12H14BrNO3/c13-10-6-8(12(15)16)7-14-11(10)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,15,16)
InChI Key:
MFXHNLLCABQTJH-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1OC1CCCCC1)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.152g/mol
Monoisotopic Mass:
299.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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