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CL-349010

CAT: 0013-GTR19240182-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240182-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CL-349010
CAS Number
868269-33-4
Purity
0.98
Smiles
FC1=C ([H]) C ([H]) =C ([H]) C ([H]) =C1C (N ([H]) C ([H]) ([H]) C (=O) OC ([H]) ([H]) C1=C ([H]) C (=O) OC2C (C ([H]) ([H]) [H]) =C (C ([H]) ([H]) [H]) C ([H]) =C ([H]) C=21) =O
Molecular Formula
C21H18FNO5
Molecular Weight
383.3697
Notes
For research use only.

Chemical Information

(7,8-Dimethyl-2-oxo-2H-chromen-4-yl)methyl (2-fluorobenzoyl)glycinate
CAS Number868269-33-4
PubChem CID8195298
IUPAC Name(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
Molecular FormulaC21H18FNO5
Molecular Weight383.4
XLogP3
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity649
SMILES
CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC=CC=C3F)C
InChI
InChI=1S/C21H18FNO5/c1-12-7-8-15-14(9-18(24)28-20(15)13(12)2)11-27-19(25)10-23-21(26)16-5-3-4-6-17(16)22/h3-9H,10-11H2,1-2H3,(H,23,26)
InChIKey
YHTQFIFMUZOZLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (7,8-Dimethyl-2-oxo-2H-chromen-4-yl)methyl (2-fluorobenzoyl)glycinate
CAS: 868269-33-4
CID: 8195298
Formula: C21H18FNO5
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass383.11690084
Monoisotopic Mass383.11690084
Topological Polar Surface Area81.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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