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BI SF3

CAT: 0013-GTR19202068-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202068-02Size:5 mg
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Description
BI SF3 is a chemical intermediate used in the synthesis of heteroarylcarboxamide compounds. This class of molecules is frequently investigated in medicinal chemistry for drug discovery, with applications in both in vitro biochemical assays and in vivo pharmacological studies.
CAS Number
118511-97-0
Smiles
NCC1=NNC2=C1C=C (Cl) C=C2
Molecular Formula
C8H8ClN3
Molecular Weight
181.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5-chloro-1H-indazol-3-yl)methanamine
CAS Number118511-97-0
PubChem CID14062707
IUPAC Name(5-chloro-2H-indazol-3-yl)methanamine
Molecular FormulaC8H8ClN3
Molecular Weight181.62
XLogP1.1
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
C1=CC2=NNC(=C2C=C1Cl)CN
InChI
InChI=1S/C8H8ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4,10H2,(H,11,12)
InChIKey
ZXSPLSWAOXLBQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-chloro-1H-indazol-3-yl)methanamine
CAS: 118511-97-0
CID: 14062707
Formula: C8H8ClN3
MW: 181.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.62
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass181.0406750
Monoisotopic Mass181.0406750
Topological Polar Surface Area54.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
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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