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Compound Fr13962

CAT: 0931-Fr13962-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13962-02Size:200 mg
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CAS Number
98-17-9
Purity
0.9941
Bioactivity
Compound Fr13962, with CAS No. 98-17-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13962 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OC1=CC=CC(=C1)C(F)(F)F
Molecular Formula
C7H5F3O
Molecular Weight
162.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(Trifluoromethyl)phenol

3-(Trifluoromethyl)phenol is a member of (trifluoromethyl)benzenes.

CAS Number98-17-9
PubChem CID7376
IUPAC Name3-(trifluoromethyl)phenol
Molecular FormulaC7H5F3O
Molecular Weight162.11
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity132
SMILES
C1=CC(=CC(=C1)O)C(F)(F)F
InChI
InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey
UGEJOEBBMPOJMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Trifluoromethyl)phenol
CAS: 98-17-9
CID: 7376
Formula: C7H5F3O
MW: 162.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.11
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass162.02924926
Monoisotopic Mass162.02924926
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13762-01Compound Fr13762
Fr13960-01Compound Fr13960
Fr13926-01Compound Fr13926
Fr13969-01Compound Fr13969
Fr13562-01Compound Fr13562
Fr13462-01Compound Fr13462
Fr13982-01Compound Fr13982
Fr13662-01Compound Fr13662
Fr13162-01Compound Fr13162
Fr13964-01Compound Fr13964

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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