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Compound Fr13561

CAT: 0931-Fr13561-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13561-01Size:100 mg
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CAS Number
175135-15-6
Bioactivity
Compound Fr13561, with CAS No. 175135-15-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13561 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
OCCCC1=NC2=CC=C(C=C2N1)C(F)(F)F
Molecular Formula
C11H11F3N2O
Molecular Weight
244.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

3-[5-(Trifluoromethyl)-1H-benzo[d]imidazol-2-yl]propan-1-ol is a member of benzimidazoles.

CAS Number175135-15-6
PubChem CID2775098
IUPAC Name3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Molecular FormulaC11H11F3N2O
Molecular Weight244.21
XLogP2.1
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity260
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)
InChIKey
FDRMNTVCDKSRNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
CAS: 175135-15-6
CID: 2775098
Formula: C11H11F3N2O
MW: 244.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.21
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass244.08234746
Monoisotopic Mass244.08234746
Topological Polar Surface Area48.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity260
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
Fr13569-01Compound Fr13569
Fr13261-01Compound Fr13261
Fr12561-01Compound Fr12561
Fr14561-01Compound Fr14561
Fr13566-01Compound Fr13566
Fr13560-01Compound Fr13560
Fr13651-01Compound Fr13651
Fr13562-01Compound Fr13562
Fr13591-01Compound Fr13591
Fr13516-01Compound Fr13516

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HY-14176-01Compound E
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