BYZ

4-bromo-1H-pyrazole

Created:	2013-05-07
Last modified:	2013-05-22

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10 entries where BYZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	9
Chiral Atom Count	0
Bond Count	9
Aromatic Bond Count	5

2D diagram of BYZ

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Chemical Component Summary
Name	4-bromo-1H-pyrazole
Systematic Name (OpenEye OEToolkits)	4-bromanyl-1H-pyrazole
Formula	C₃ H₃ Br N₂
Molecular Weight	146.973
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1cnnc1
SMILES	CACTVS	3.370	Brc1c[nH]nc1
SMILES	OpenEye OEToolkits	1.7.6	c1c(cn[nH]1)Br
Canonical SMILES	CACTVS	3.370	Brc1c[nH]nc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(cn[nH]1)Br
InChI	InChI	1.03	InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey	InChI	1.03	WVGCPEDBFHEHEZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16375
CCDC/CSD	PEKWEJ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.