Home Aldehydes 75428-45-4
75428-45-4,MFCD00052581
Catalog No.:AA003HQJ
75428-45-4 | 5-Nitrothiophene-3-carbaldehyde
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Purity
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1g
98%
in stock  
$58.00   $40.00
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5g
98%
in stock  
$200.00   $140.00
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25g
98%
in stock  
$889.00   $623.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HQJ
Chemical Name:
5-Nitrothiophene-3-carbaldehyde
CAS Number:
75428-45-4
Molecular Formula:
C5H3NO3S
Molecular Weight:
157.1472
MDL Number:
MFCD00052581
IUPAC Name:
5-nitrothiophene-3-carbaldehyde
InChI:
InChI=1S/C5H3NO3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3H
InChI Key:
JYVNBTUBCTXNBI-UHFFFAOYSA-N
SMILES:
O=Cc1csc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.983g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.143g/mol
Monoisotopic Mass:
156.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
5-nitrothiophene-3-carbaldehyde 
75428-45-4 
5nitro-3-thiophenecarbaldehyde 
SCHEMBL3272796 
5-nitrothiophene-3carboxaldehyde 
CTK5E1555 
2-nitro-4-thiophenecarboxaldehyde 
DTXSID50226354 
5-Nitrothiophene-3-carboxaldehyde 
JYVNBTUBCTXNBI-UHFFFAOYSA-N 
ZINC159715 
KS-00002A5J 
2-Nitrothiophene-4-carboxaldehyde 
9244AE 
SBB052263 
AKOS024387380 
MCULE-2616161272 
NE21759 
PS-4326 
QC-6757 
BP-10834 
CS-0063800 
FT-0613225 
5-nitro-3-thiophenecarbaldehyde 
ST51039887 
EN300-44170 
I09-3772 
Cedrin 
C5H3NO3S 
CID144730 
ZINC00159715 
3-Thiophenecarboxaldehyde, 5-nitro- (6CI,7CI,9CI) 
75513-81-4 
4-Formyl-2-nitrothiophene 
3-Thiophenecarboxaldehyde,5-nitro- 
MFCD00052581 
AC1Q1XAU 
3-Formyl-5-nitrothiophene 
AC1L3PT0 
Literature
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