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3,4,5-Tribromopyrazole

CAT: 0024-sc-209709Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-209709Size:5 g
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CAS Number
17635-44-8

Chemical Information

3,4,5-tribromo-1H-pyrazole
CAS Number17635-44-8
PubChem CID627674
IUPAC Name3,4,5-tribromo-1H-pyrazole
Molecular FormulaC3HBr3N2
Molecular Weight304.77
XLogP3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity88
SMILES
C1(=C(NN=C1Br)Br)Br
InChI
InChI=1S/C3HBr3N2/c4-1-2(5)7-8-3(1)6/h(H,7,8)
InChIKey
TXQKCKQJBGFUBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-tribromo-1H-pyrazole
CAS: 17635-44-8
CID: 627674
Formula: C3HBr3N2
MW: 304.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.77
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass303.76694
Monoisotopic Mass301.76899
Topological Polar Surface Area28.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity88.6
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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