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130507-37-8 | 4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-fluoro-3-methyl-
CAS No: 130507-37-8 Catalog No: AG000UIT MDL No:
Product Description
Catalog Number:
AG000UIT
Chemical Name:
4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-fluoro-3-methyl-
CAS Number:
130507-37-8
Molecular Formula:
C17H11BrFNO2
Molecular Weight:
360.1771
IUPAC Name:
2-(4-bromophenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C17H11BrFNO2/c1-9-15(17(21)22)13-8-12(19)6-7-14(13)20-16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
InChI Key:
ULORBMCMFOUFEN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2ccc(cc2c(c1C)C(=O)O)F
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.996g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.182g/mol
Monoisotopic Mass:
358.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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