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Home > Fluorides > 129700-40-9
129700-40-9 | 1,3-Propanedione, 1,3-bis[4-(trifluoromethyl)phenyl]-
CAS No: 129700-40-9 Catalog No: AG000TLL MDL No:
Product Description
Catalog Number:
AG000TLL
Chemical Name:
1,3-Propanedione, 1,3-bis[4-(trifluoromethyl)phenyl]-
CAS Number:
129700-40-9
Molecular Formula:
C17H10F6O2
Molecular Weight:
360.2505
IUPAC Name:
1,3-bis[4-(trifluoromethyl)phenyl]propane-1,3-dione
InChI:
InChI=1S/C17H10F6O2/c18-16(19,20)12-5-1-10(2-6-12)14(24)9-15(25)11-3-7-13(8-4-11)17(21,22)23/h1-8H,9H2
InChI Key:
CSMOSXFQQGTMDN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)CC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.058g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.255g/mol
Monoisotopic Mass:
360.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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