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Home Aldehydes 4-Bromothiophene-2-carboxaldehyde

4-Bromothiophene-2-carboxaldehyde

CAS No.:
18791-75-8
Catalog Number:
AG002GKV
Molecular Formula:
C5H3BrOS
Molecular Weight:
191.0457
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$82
- +
500g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG002GKV
Chemical Name:
4-Bromothiophene-2-carboxaldehyde
CAS Number:
18791-75-8
Molecular Formula:
C5H3BrOS
Molecular Weight:
191.0457
MDL Number:
MFCD00155721
IUPAC Name:
4-bromothiophene-2-carbaldehyde
InChI:
InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChI Key:
PDONIKHDXYHTLS-UHFFFAOYSA-N
SMILES:
Brc1cc(sc1)C=O
EC Number:
242-577-3
Properties
Complexity:
96.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.909g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.042g/mol
Monoisotopic Mass:
189.909g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
5,6-Di-2-thienyl-2,3-dihydro-pyrazine. Acta crystallographica. Section E, Structure reports online 20100501
N'-[(E)-(4-Bromo-2-thienyl)methyl-ene]isonicotinohydrazide. Acta crystallographica. Section E, Structure reports online 20091001
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties