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2-chloro-5-nitrothiophene

CAT: 0926-NAA19549-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-NAA19549-01Size:100 mg
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CAS Number
13195-49-8
MDL Number
MFCD01625926
Smiles
C1=C (SC (=C1) Cl) [N+] (=O) [O-]
Molecular Formula
C4H2ClNO2S
Molecular Weight
163.58 g/mol
Controlled
No

Chemical Information

2-Chloro-5-nitrothiophene
CAS Number13195-49-8
PubChem CID13762130
IUPAC Name2-chloro-5-nitrothiophene
Molecular FormulaC4H2ClNO2S
Molecular Weight163.58
XLogP2.7
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
C1=C(SC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H2ClNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChIKey
ICZXWJPHHWNISM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-nitrothiophene
CAS: 13195-49-8
CID: 13762130
Formula: C4H2ClNO2S
MW: 163.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.58
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.9494772
Monoisotopic Mass162.9494772
Topological Polar Surface Area74.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
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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