9NL

(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid

Created:	2018-06-06
Last modified:	2019-06-19

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1 entries where 9NL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of 9NL

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Chemical Component Summary
Name	(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-3,3-bis(fluoranyl)-2-oxidanyl-3-phenyl-propanoic acid
Formula	C₉ H₈ F₂ O₃
Molecular Weight	202.155
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)C(C(c1ccccc1)(F)F)O
SMILES	CACTVS	3.385	O[CH](C(O)=O)C(F)(F)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(C(C(=O)O)O)(F)F
Canonical SMILES	CACTVS	3.385	O[C@H](C(O)=O)C(F)(F)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F
InChI	InChI	1.03	InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1
InChIKey	InChI	1.03	JCELIJYTLDZTOR-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	7009951

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