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Compound Fr12384

CAT: 0013-GTR19269797-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269797-01Size:1 mg
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Description
Compound Fr12384, with CAS No. 125126-63-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12384 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.
CAS Number
125126-63-8
Smiles
Fc1ccc (c (F) c1) -n1cccc1
Molecular Formula
C10H7F2N
Molecular Weight
179.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,4-Difluorophenyl)-1h-pyrrole
CAS Number125126-63-8
PubChem CID164197
IUPAC Name1-(2,4-difluorophenyl)pyrrole
Molecular FormulaC10H7F2N
Molecular Weight179.17
XLogP2.5
Topological Polar Surface Area4.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity168
SMILES
C1=CN(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H7F2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H
InChIKey
ZAZINVQEIDWJRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-Difluorophenyl)-1h-pyrrole
CAS: 125126-63-8
CID: 164197
Formula: C10H7F2N
MW: 179.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.17
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass179.05465555
Monoisotopic Mass179.05465555
Topological Polar Surface Area4.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity168
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

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