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Home > Bromides > 1256810-42-0
1256810-42-0 | 4-Pyridinecarboxylic acid, 2-bromo-5-hydroxy-, methyl ester
CAS No: 1256810-42-0 Catalog No: AG000OEQ MDL No:MFCD18257537
Product Description
Catalog Number:
AG000OEQ
Chemical Name:
4-Pyridinecarboxylic acid, 2-bromo-5-hydroxy-, methyl ester
CAS Number:
1256810-42-0
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD18257537
IUPAC Name:
methyl 2-bromo-5-hydroxypyridine-4-carboxylate
InChI:
InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-6(8)9-3-5(4)10/h2-3,10H,1H3
InChI Key:
ULFRHKCPMNCMPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ncc1O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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