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4-Bromo-1H-pyrazole

CAT: 0572-TRC-B687110-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687110-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2075-45-8
Synonyms
4-Bromopyrazole; NSC 522023
Hazard Statement
No Data Available
Smiles
Brc1cn[nH]c1
Molecular Formula
C3H3BrN2
Molecular Weight
146.97
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

4-Bromopyrazole

structure

CAS Number2075-45-8
PubChem CID16375
IUPAC Name4-bromo-1H-pyrazole
Molecular FormulaC3H3BrN2
Molecular Weight146.97
XLogP0.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity48
SMILES
C1=C(C=NN1)Br
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey
WVGCPEDBFHEHEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromopyrazole
CAS: 2075-45-8
CID: 16375
Formula: C3H3BrN2
MW: 146.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.97
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass145.94796
Monoisotopic Mass145.94796
Topological Polar Surface Area28.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity48.1
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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