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1392809-08-3 | Benzoic acid, 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl]-
CAS No: 1392809-08-3 Catalog No: AG001AO0 MDL No:
Product Description
Catalog Number:
AG001AO0
Chemical Name:
Benzoic acid, 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl]-
CAS Number:
1392809-08-3
Molecular Formula:
C22H12ClF3N2O3
Molecular Weight:
444.7905
IUPAC Name:
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid
InChI:
InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)
InChI Key:
DANLZOIRUUHIIX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.049g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.794g/mol
Monoisotopic Mass:
444.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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