Home Other Building Blocks 3-(5-BROMOTHIOPHEN-2-YL)-2-OXOPROPANOIC ACID

3-(5-BROMOTHIOPHEN-2-YL)-2-OXOPROPANOIC ACID

CAS No.:
1016725-49-7
Catalog Number:
AG01DX58
Molecular Formula:
C7H5BrO3S
Molecular Weight:
249.0818
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Product Description
Catalog Number:
AG01DX58
Chemical Name:
3-(5-BROMOTHIOPHEN-2-YL)-2-OXOPROPANOIC ACID
CAS Number:
1016725-49-7
Molecular Formula:
C7H5BrO3S
Molecular Weight:
249.0818
MDL Number:
MFCD09802801
IUPAC Name:
3-(5-bromothiophen-2-yl)-2-oxopropanoic acid
InChI:
InChI=1S/C7H5BrO3S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2H,3H2,(H,10,11)
InChI Key:
GJPZYQRSPGPTFL-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Cc1ccc(s1)Br
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.914g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.078g/mol
Monoisotopic Mass:
247.914g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties