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Mitochonic acid 5 100mg

CAT: 0628-A16888-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A16888-100Size:100 mg
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CAS Number
1354707-41-7

Chemical Information

4-(2,4-difluorophenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid

Mitochonic acid 5 is an organic molecular entity.

CAS Number1354707-41-7
PubChem CID76070959
IUPAC Name4-(2,4-difluorophenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
Molecular FormulaC18H13F2NO3
Molecular Weight329.3
XLogP3.1
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity487
SMILES
C1=CC=C2C(=C1)C(=CN2)C(CC(=O)C3=C(C=C(C=C3)F)F)C(=O)O
InChI
InChI=1S/C18H13F2NO3/c19-10-5-6-12(15(20)7-10)17(22)8-13(18(23)24)14-9-21-16-4-2-1-3-11(14)16/h1-7,9,13,21H,8H2,(H,23,24)
InChIKey
BOKQALWNGNLTOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-difluorophenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
CAS: 1354707-41-7
CID: 76070959
Formula: C18H13F2NO3
MW: 329.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass329.08634960
Monoisotopic Mass329.08634960
Topological Polar Surface Area70.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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