Home Halogens 2-(5-bromothiophen-2-yl)-2-oxoacetic acid

2-(5-bromothiophen-2-yl)-2-oxoacetic acid

CAS No.:
22098-18-6
Catalog Number:
AG01C1KH
Molecular Formula:
C6H3BrO3S
Molecular Weight:
235.0552
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Product Description
Catalog Number:
AG01C1KH
Chemical Name:
2-(5-bromothiophen-2-yl)-2-oxoacetic acid
CAS Number:
22098-18-6
Molecular Formula:
C6H3BrO3S
Molecular Weight:
235.0552
MDL Number:
MFCD12786265
IUPAC Name:
2-(5-bromothiophen-2-yl)-2-oxoacetic acid
InChI:
InChI=1S/C6H3BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2H,(H,9,10)
InChI Key:
YLMOPFHUYOWWOX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccc(s1)Br
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.899g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.051g/mol
Monoisotopic Mass:
233.899g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties