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Compound 143322-57-0

CAT: 0931-TPL0069-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0069-01Size:50 mg
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CAS Number
143322-57-0
Purity
0.9959
Bioactivity
Compound 143322-57-0, with CAS No. 143322-57-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 143322-57-0 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
CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12
Molecular Formula
C14H17BrN2
Molecular Weight
293.208
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-5-Bromo-3-(1-methyl-2-pyrrolidinyl methyl)-1H-indole

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CAS Number143322-57-0
PubChem CID11185464
IUPAC Name5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Molecular FormulaC14H17BrN2
Molecular Weight293.20
XLogP3.6
Topological Polar Surface Area19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m1/s1
InChIKey
JCXOJXALBTZEFE-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of (R)-5-Bromo-3-(1-methyl-2-pyrrolidinyl methyl)-1H-indole
CAS: 143322-57-0
CID: 11185464
Formula: C14H17BrN2
MW: 293.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight293.20
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass292.05751
Monoisotopic Mass292.05751
Topological Polar Surface Area19 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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