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Home Carboxys 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester

5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester

CAS No.:
57800-76-7
Catalog Number:
AG003RXN
Molecular Formula:
C6H4ClNO4S
Molecular Weight:
221.6183
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$269
- +
10g
98%
In Stock USA
United States
$457
- +
25g
98%
In Stock USA
United States
$913
- +
Product Description
Catalog Number:
AG003RXN
Chemical Name:
5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
CAS Number:
57800-76-7
Molecular Formula:
C6H4ClNO4S
Molecular Weight:
221.6183
MDL Number:
MFCD08275718
IUPAC Name:
methyl 5-chloro-4-nitrothiophene-2-carboxylate
InChI:
InChI=1S/C6H4ClNO4S/c1-12-6(9)4-2-3(8(10)11)5(7)13-4/h2H,1H3
InChI Key:
IJSXVHIIYIMVTM-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.955g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.611g/mol
Monoisotopic Mass:
220.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties