Home Halogens 2-bromo-4,5-dimethylthiophene-3-carboxylic acid

2-bromo-4,5-dimethylthiophene-3-carboxylic acid

CAS No.:
175217-22-8
Catalog Number:
AG00AN54
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
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Product Description
Catalog Number:
AG00AN54
Chemical Name:
2-bromo-4,5-dimethylthiophene-3-carboxylic acid
CAS Number:
175217-22-8
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD02325137
IUPAC Name:
2-bromo-4,5-dimethylthiophene-3-carboxylic acid
InChI:
InChI=1S/C7H7BrO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h1-2H3,(H,9,10)
InChI Key:
VPLITVQPROCSGC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)sc(c1C)C
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.935g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.095g/mol
Monoisotopic Mass:
233.935g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties