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823177-84-0 | 1H-Indole-3-acetic acid, 1-(2,6-difluorobenzoyl)-5-hydroxy-2-methyl-
CAS No: 823177-84-0 Catalog No: AG0055YO MDL No:
Product Description
Catalog Number:
AG0055YO
Chemical Name:
1H-Indole-3-acetic acid, 1-(2,6-difluorobenzoyl)-5-hydroxy-2-methyl-
CAS Number:
823177-84-0
Molecular Formula:
C18H13F2NO4
Molecular Weight:
345.2969
IUPAC Name:
2-[1-(2,6-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
InChI:
InChI=1S/C18H13F2NO4/c1-9-11(8-16(23)24)12-7-10(22)5-6-15(12)21(9)18(25)17-13(19)3-2-4-14(17)20/h2-7,22H,8H2,1H3,(H,23,24)
InChI Key:
XTOSDRLXPWZBHX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)n(c2c1cc(O)cc2)C(=O)c1c(F)cccc1F
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.081g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.302g/mol
Monoisotopic Mass:
345.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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