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WEHL-04

CAT: 0013-GTR19216991-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216991-01Size:1 g
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Description
WEHL-04 is an intermediate used to prepare (isoquinolinylsulfonyl) benzoic acids as inhibitors of type 5 71-β-hydroxysteroid dehydrogenase AKR1C3. It is also used in the synthesis of 2-aminooctahydrocyclopentalene-3a-carboxamides as potent CCR2 antagonists.
CAS Number
114744-51-3
Product Name Alternative
7-Bromo-1,2,3,4-tetrahydroquinoline
Purity
>98% (HPLC)
Smiles
Brc1cc (NCCC2) c2cc1
Molecular Formula
C9H10BrN
Molecular Weight
212.09
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

7-Bromo-1,2,3,4-tetrahydroquinoline
CAS Number114744-51-3
PubChem CID13865047
IUPAC Name7-bromo-1,2,3,4-tetrahydroquinoline
Molecular FormulaC9H10BrN
Molecular Weight212.09
XLogP3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1CC2=C(C=C(C=C2)Br)NC1
InChI
InChI=1S/C9H10BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5H2
InChIKey
DRVWZEWZXCZNAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-1,2,3,4-tetrahydroquinoline
CAS: 114744-51-3
CID: 13865047
Formula: C9H10BrN
MW: 212.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.09
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass210.99966
Monoisotopic Mass210.99966
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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