Home Carboxys 7-Bromo-1-(4-hydroxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

7-Bromo-1-(4-hydroxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS No.:
1447607-26-2
Catalog Number:
AG00ATFZ
Molecular Formula:
C17H12BrNO4
Molecular Weight:
374.1855
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Product Description
Catalog Number:
AG00ATFZ
Chemical Name:
7-Bromo-1-(4-hydroxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
1447607-26-2
Molecular Formula:
C17H12BrNO4
Molecular Weight:
374.1855
MDL Number:
MFCD24386273
IUPAC Name:
7-bromo-1-(4-hydroxy-2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C17H12BrNO4/c1-9-6-11(20)3-5-14(9)19-8-13(17(22)23)16(21)12-4-2-10(18)7-15(12)19/h2-8,20H,1H3,(H,22,23)
InChI Key:
GAQYYLONEGSVIP-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C)n1cc(C(=O)O)c(=O)c2c1cc(Br)cc2
Properties
Complexity:
535  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.995g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.19g/mol
Monoisotopic Mass:
372.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties