3-(Trifluoromethyl)benzhydrol - CAS 728-80-3
Catalog: |
BB034715 |
Product Name: |
3-(Trifluoromethyl)benzhydrol |
CAS: |
728-80-3 |
Synonyms: |
phenyl-[3-(trifluoromethyl)phenyl]methanol |
IUPAC Name: | phenyl-[3-(trifluoromethyl)phenyl]methanol |
Description: | 3-(Trifluoromethyl)benzhydrol (CAS# 728-80-3) is a useful research chemical. |
Molecular Weight: | 252.23 |
Molecular Formula: | C14H11F3O |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)O |
InChI: | InChI=1S/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H |
InChI Key: | KRMIEGLFYDWJOT-UHFFFAOYSA-N |
Boiling Point: | 309.1 °C at 760 mmHg |
Density: | 1.257 g/cm3 |
MDL: | MFCD00014397 |
LogP: | 3.78710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2578569-A1 | Heterocyclic ring compound and h1 receptor antagonist | 20100527 |
EP-2578569-B1 | Heterocyclic ring compound and h1 receptor antagonist | 20100527 |
US-2013085127-A1 | Heterocyclic compound and h1 receptor antagonist | 20100527 |
US-9365553-B2 | Heterocyclic compound and H1 receptor antagonist | 20100527 |
WO-2011148888-A1 | Heterocyclic ring compound and h1 receptor antagonist | 20100527 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.07619946 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.07619946 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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