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3-[ (E) -2-Nitroethenyl]thiophene

CAT: 0926-KEA14352-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-KEA14352-01Size:50 mg
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CAS Number
110143-52-7
MDL Number
MFCD00176370
Smiles
C1=CSC=C1C=C[N+] (=O) [O-]
Molecular Formula
C6H5NO2S
Molecular Weight
155.18 g/mol
Controlled
No

Chemical Information

3-(2-Nitrovinyl)thiophene
CAS Number110143-52-7
PubChem CID5702423
IUPAC Name3-[(E)-2-nitroethenyl]thiophene
Molecular FormulaC6H5NO2S
Molecular Weight155.18
XLogP1.9
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity152
SMILES
C1=CSC=C1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H5NO2S/c8-7(9)3-1-6-2-4-10-5-6/h1-5H/b3-1+
InChIKey
BKLSHYMRBHFIAN-HNQUOIGGSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Nitrovinyl)thiophene
CAS: 110143-52-7
CID: 5702423
Formula: C6H5NO2S
MW: 155.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.18
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass155.00409958
Monoisotopic Mass155.00409958
Topological Polar Surface Area74.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity152
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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