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872714-51-7 | 4-Bromo-6-methoxyquinoline-3-carboxylic acid
CAS No: 872714-51-7 Catalog No: AG004LTA MDL No:MFCD18254074
Product Description
Catalog Number:
AG004LTA
Chemical Name:
4-Bromo-6-methoxyquinoline-3-carboxylic acid
CAS Number:
872714-51-7
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD18254074
IUPAC Name:
4-bromo-6-methoxyquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H8BrNO3/c1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15/h2-5H,1H3,(H,14,15)
InChI Key:
QUILZJCQPOYYTK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(Br)c(cn2)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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