P9T

[(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

Created:	2018-04-17
Last modified:	2019-04-17

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2 entries where P9T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of P9T

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Chemical Component Summary
Name	[(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[5,7-bis(fluoranyl)-2-oxidanylidene-chromen-4-yl]methylphosphonic acid
Formula	C₁₀ H₇ F₂ O₅ P
Molecular Weight	276.13
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(=O)C=C(CP(=O)(O)O)c1c(cc(cc1F)F)O2
SMILES	CACTVS	3.385	O[P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12
SMILES	OpenEye OEToolkits	2.0.6	c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F
Canonical SMILES	CACTVS	3.385	O[P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F
InChI	InChI	1.03	InChI=1S/C10H7F2O5P/c11-6-2-7(12)10-5(4-18(14,15)16)1-9(13)17-8(10)3-6/h1-3H,4H2,(H2,14,15,16)
InChIKey	InChI	1.03	RMYHVOFFXNNDCT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	130427307

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