4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid - CAS 383-13-1
Catalog: |
BB023626 |
Product Name: |
4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid |
CAS: |
383-13-1 |
Synonyms: |
4-(1,1,2,2,2-pentafluoroethyl)benzoic acid |
IUPAC Name: | 4-(1,1,2,2,2-pentafluoroethyl)benzoic acid |
Description: | 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid (CAS# 383-13-1) is a useful research chemical. |
Molecular Weight: | 240.13 |
Molecular Formula: | C9H5F5O2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)C(C(F)(F)F)(F)F |
InChI: | InChI=1S/C9H5F5O2/c10-8(11,9(12,13)14)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16) |
InChI Key: | WJKRCWXOKSNIAD-UHFFFAOYSA-N |
MDL: | MFCD15209530 |
LogP: | 3.03890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3395922-A1 | Optical adhesive for glass and polycarbonate | 20170426 |
US-2020095487-A1 | Optical adhesive for glass and polycarbonate | 20170426 |
WO-2011102514-A1 | Aromatic ring compound | 20100222 |
WO-2011059042-A1 | Aromatic ring compound | 20091112 |
AU-2007213831-A1 | Benzamide and heteroarene derivatives | 20060207 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.02097021 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.02097021 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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