200,000+ products from a single source!
sales@angenechem.com
139291-34-2 | 9H-Xanthene-2,7-dicarboxylic acid, 9-phenyl-9-(trifluoromethyl)-
CAS No: 139291-34-2 Catalog No: AG001AOY MDL No:
Product Description
Catalog Number:
AG001AOY
Chemical Name:
9H-Xanthene-2,7-dicarboxylic acid, 9-phenyl-9-(trifluoromethyl)-
CAS Number:
139291-34-2
Molecular Formula:
C22H13F3O5
Molecular Weight:
414.3308
IUPAC Name:
9-phenyl-9-(trifluoromethyl)xanthene-2,7-dicarboxylic acid
InChI:
InChI=1S/C22H13F3O5/c23-22(24,25)21(14-4-2-1-3-5-14)15-10-12(19(26)27)6-8-17(15)30-18-9-7-13(20(28)29)11-16(18)21/h1-11H,(H,26,27)(H,28,29)
InChI Key:
SBXXYXKFYVKAJF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(c1ccccc1)(c1c(O2)ccc(c1)C(=O)O)C(F)(F)F
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.072g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.336g/mol
Monoisotopic Mass:
414.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.