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21175-51-9 | 2-(5-BROMOTHIOPHEN-2-YL)-2-OXOACETALDEHYDE HYDRATE
CAS No: 21175-51-9 Catalog No: AG006YS0 MDL No:MFCD08705872
Product Description
Catalog Number:
AG006YS0
Chemical Name:
2-(5-BROMOTHIOPHEN-2-YL)-2-OXOACETALDEHYDE HYDRATE
CAS Number:
21175-51-9
Molecular Formula:
C6H5BrO3S
Molecular Weight:
237.0711
MDL Number:
MFCD08705872
IUPAC Name:
2-(5-bromothiophen-2-yl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C6H3BrO2S.H2O/c7-6-2-1-5(10-6)4(9)3-8;/h1-3H;1H2
InChI Key:
FEJAPSSZHPASMZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)C(=O)C=O.O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.914g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.067g/mol
Monoisotopic Mass:
235.914g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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