4NO

4-nitro-2-phosphonobenzoic acid

Created:	2014-08-27
Last modified:	2014-12-10

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2 entries where 4NO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of 4NO

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Chemical Component Summary
Name	4-nitro-2-phosphonobenzoic acid
Systematic Name (OpenEye OEToolkits)	4-nitro-2-phosphono-benzoic acid
Formula	C₇ H₆ N O₇ P
Molecular Weight	247.099
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1cc(c(C(=O)O)cc1)P(=O)(O)O
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1[P](O)(O)=O)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1[P](O)(O)=O)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H6NO7P/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15/h1-3H,(H,9,10)(H2,13,14,15)
InChIKey	InChI	1.03	PFWUFGANONPVGT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	279168

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