BBU

1-BROMOBUTANE

Created:	2004-11-01
Last modified:	2011-06-04

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1 entries where BBU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

2D diagram of BBU

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Chemical Component Summary
Name	1-BROMOBUTANE
Systematic Name (OpenEye OEToolkits)	1-bromobutane
Formula	C₄ H₉ Br
Molecular Weight	137.018
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	BrCCCC
SMILES	CACTVS	3.341	CCCCBr
SMILES	OpenEye OEToolkits	1.5.0	CCCCBr
Canonical SMILES	CACTVS	3.341	CCCCBr
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCBr
InChI	InChI	1.03	InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
InChIKey	InChI	1.03	MPPPKRYCTPRNTB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8002
ChEMBL	CHEMBL160949

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.