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Home Carboxys 5-Nitro-2-thiophenecarboxylic acid

5-Nitro-2-thiophenecarboxylic acid

CAS No.:
6317-37-9
Catalog Number:
AG0034B2
Molecular Formula:
C5H3NO4S
Molecular Weight:
173.1466
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$29
- +
25g
96%
In Stock USA
United States
$88
- +
100g
96%
In Stock USA
United States
$250
- +
500g
96%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG0034B2
Chemical Name:
5-Nitro-2-thiophenecarboxylic acid
CAS Number:
6317-37-9
Molecular Formula:
C5H3NO4S
Molecular Weight:
173.1466
MDL Number:
MFCD00159552
IUPAC Name:
5-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H3NO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)
InChI Key:
UNEPVPOHGXLUIR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)[N+](=O)[O-]
EC Number:
228-654-4
NSC Number:
41707
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.978g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.142g/mol
Monoisotopic Mass:
172.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Pyridinium 5-nitro-thio-phene-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20100601
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties