BVB

5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol

Created:	2013-09-20
Last modified:	2013-11-20

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2 entries where BVB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of BVB

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Chemical Component Summary
Name	5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
Formula	C₁₄ H₁₁ Br O₂
Molecular Weight	291.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc2ccc(/C=C/c1cc(O)cc(O)c1)cc2
SMILES	CACTVS	3.385	Oc1cc(O)cc(C=Cc2ccc(Br)cc2)c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C=Cc2cc(cc(c2)O)O)Br
Canonical SMILES	CACTVS	3.385	Oc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br
InChI	InChI	1.03	InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
InChIKey	InChI	1.03	NCJVLKFAQIWASE-OWOJBTEDSA-N

Related Resource References

Resource Name	Reference
PubChem	18475115
ChEMBL	CHEMBL2208038

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