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54232-43-8 | 6-Bromo-5-Methoxy-2-Pyridinecarboxylic Acid
CAS No: 54232-43-8 Catalog No: AG003733 MDL No:MFCD06655957
Product Description
Catalog Number:
AG003733
Chemical Name:
6-Bromo-5-Methoxy-2-Pyridinecarboxylic Acid
CAS Number:
54232-43-8
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD06655957
IUPAC Name:
6-bromo-5-methoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3/c1-12-5-3-2-4(7(10)11)9-6(5)8/h2-3H,1H3,(H,10,11)
InChI Key:
WOXIJGVDMQJTAC-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1Br)C(=O)O
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:
1.7
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