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ESI-09

CAT: 0498-bs-6558C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6558C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
263707-16-0
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CC(C)(C)C1=CC(=NO1)C(=O)/C(/C#N)=N/NC1=CC(Cl)=CC=C1
Molecular Formula
C16 H15 Cl N4 O2
Molecular Weight
330.77
InChI
InChI=1S/C16H15ClN4O2/c1-16 (2,3) 14-8-12 (21-23-14) 15 (22) 13 (9-18) 20-19-11-6-4-5-10 (17) 7-11/h4-8,19H,1-3H3/b20-13+
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power

Chemical Information

Esi-09
CAS Number263707-16-0
PubChem CID6077765
IUPAC Name(1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide
Molecular FormulaC16H15ClN4O2
Molecular Weight330.77
XLogP5.2
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity520
SMILES
CC(C)(C)C1=CC(=NO1)C(=O)/C(=N/NC2=CC(=CC=C2)Cl)/C#N
InChI
InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
InChIKey
DXEATJQGQHDURZ-DEDYPNTBSA-N
Chemical Structure
2D Structure
2D structure of Esi-09
CAS: 263707-16-0
CID: 6077765
Formula: C16H15ClN4O2
MW: 330.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.77
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass330.0883534
Monoisotopic Mass330.0883534
Topological Polar Surface Area91.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity520
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

Alternative Products

CatalogName
B4814-5ESI-09
255266-01ESI 09

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