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18060-37-2 | 4-Quinolinecarboxylic acid, 2-(4-methoxyphenyl)-8-(trifluoromethyl)-
CAS No: 18060-37-2 Catalog No: AG00225Z MDL No:
Product Description
Catalog Number:
AG00225Z
Chemical Name:
4-Quinolinecarboxylic acid, 2-(4-methoxyphenyl)-8-(trifluoromethyl)-
CAS Number:
18060-37-2
Molecular Formula:
C18H12F3NO3
Molecular Weight:
347.2880
IUPAC Name:
2-(4-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C18H12F3NO3/c1-25-11-7-5-10(6-8-11)15-9-13(17(23)24)12-3-2-4-14(16(12)22-15)18(19,20)21/h2-9H,1H3,(H,23,24)
InChI Key:
YBCODSRWKYAVEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(ccc2)C(F)(F)F
NSC Number:
141345
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.293g/mol
Monoisotopic Mass:
347.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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