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4-ethylphenyl isocyanide

CAT: 0572-TRC-B438213-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B438213-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143063-89-2
Hazard Statement
No Data Available
Smiles
CCc1ccc(cc1)[N+]#[C-]
Molecular Formula
C9H9N
Molecular Weight
131.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzene,1-ethyl-4-isocyano-
CAS Number143063-89-2
PubChem CID3735672
IUPAC Name1-ethyl-4-isocyanobenzene
Molecular FormulaC9H9N
Molecular Weight131.17
XLogP2.7
Topological Polar Surface Area4.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
CCC1=CC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C9H9N/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1H3
InChIKey
ADMGWKJOPIZBNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene,1-ethyl-4-isocyano-
CAS: 143063-89-2
CID: 3735672
Formula: C9H9N
MW: 131.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.17
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass131.073499291
Monoisotopic Mass131.073499291
Topological Polar Surface Area4.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
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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