Research chemical
CAS Number: 325720-71-6
![13-[4-(Trifluoromethyl)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione molecular structure, CAS 325720-71-6](/structure-images/325720-71-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4052962
Exact Mass
462.071508
InChIKey
XHZRCHNVOFIKOE-UHFFFAOYSA-N
IUPAC Name
13-[4-(trifluoromethyl)phenyl]-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
SMILES String
O=c1oc2ccccc2c2c1C(c1ccc(C(F)(F)F)cc1)c1c(c3ccccc3oc1=O)O2
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
13-[4-(Trifluoromethyl)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione is identified by CAS 325720-71-6, with molecular formula C26H13F3O5, molecular weight 462.4, InChIKey XHZRCHNVOFIKOE-UHFFFAOYSA-N.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
34
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
1
Ring count
6
Aromatic rings
5
Topological polar surface area
69.65 Ų
Computed LogP
6.2
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
13-[4-(Trifluoromethyl)phenyl]-2,10,16-trioxapentacyclo[12. 8. 0. 0^{3,12}. 0^{4,9}.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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