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Bioymifi 10mg

CAT: 0628-A12908-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12908-10Size:10 mg
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CAS Number
1420071-30-2

Chemical Information

Bioymifi

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CAS Number1420071-30-2
PubChem CID70678419
IUPAC Name5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione
Molecular FormulaC22H12BrN3O4S
Molecular Weight494.3
XLogP4.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity841
SMILES
C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)/SC2=N)Br
InChI
InChI=1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22?
InChIKey
ULBOWKXOFOTCMU-NLDKGBHCSA-N
Chemical Structure
2D Structure
2D structure of Bioymifi
CAS: 1420071-30-2
CID: 70678419
Formula: C22H12BrN3O4S
MW: 494.3
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight494.3
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass492.97319
Monoisotopic Mass492.97319
Topological Polar Surface Area129 Ų
Heavy Atom Count31
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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