H5B

4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid

Created:	2018-11-16
Last modified:	2019-07-10

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1 entries where H5B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of H5B

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Chemical Component Summary
Name	4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
Formula	C₁₁ H₇ Br O₃
Molecular Weight	267.075
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cc(Br)c2ccccc2c1O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(cc(c2O)C(=O)O)Br
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(Br)c2ccccc2c1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(cc(c2O)C(=O)O)Br
InChI	InChI	1.03	InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
InChIKey	InChI	1.03	ORABWYPHDRBFAX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	289393

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