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4-Bromo-1H-indazole

CAT: 0013-GTR19246159-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246159-01Size:50 g
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Description
4-Bromo-1H-indazole is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
186407-74-9
Smiles
BrC1=CC=CC2=C1C=NN2
Molecular Formula
C7H5BrN2
Molecular Weight
197.032
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-bromo-1H-indazole
CAS Number186407-74-9
PubChem CID22352548
IUPAC Name4-bromo-1H-indazole
Molecular FormulaC7H5BrN2
Molecular Weight197.03
XLogP2.2
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CC2=C(C=NN2)C(=C1)Br
InChI
InChI=1S/C7H5BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
KJIODOACRIRBPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-bromo-1H-indazole
CAS: 186407-74-9
CID: 22352548
Formula: C7H5BrN2
MW: 197.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.03
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass195.96361
Monoisotopic Mass195.96361
Topological Polar Surface Area28.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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