Home Halogens Methyl 5-bromo-4-hydroxynicotinate

Methyl 5-bromo-4-hydroxynicotinate

CAS No.:
1175512-08-9
Catalog Number:
AG0092YB
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
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Product Description
Catalog Number:
AG0092YB
Chemical Name:
Methyl 5-bromo-4-hydroxynicotinate
CAS Number:
1175512-08-9
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD26383572
IUPAC Name:
methyl 5-bromo-4-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-9-3-5(8)6(4)10/h2-3H,1H3,(H,9,10)
InChI Key:
MOSJHTAFHHUNRB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1O)Br
Properties
Complexity:
293  
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:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties