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EMD638683 R-Form 2mg

CAT: 0628-A11398-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A11398-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1184940-47-3

Chemical Information

N'-[(2R)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
CAS Number1184940-47-3
PubChem CID66577016
IUPAC NameN'-[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
Molecular FormulaC18H18F2N2O4
Molecular Weight364.3
XLogP2.8
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity498
SMILES
CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)[C@@H](C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKey
SSNAPUUWBPZGOY-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of N'-[(2R)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
CAS: 1184940-47-3
CID: 66577016
Formula: C18H18F2N2O4
MW: 364.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.3
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass364.12346338
Monoisotopic Mass364.12346338
Topological Polar Surface Area98.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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