Home Halogens 4-bromo-3-methoxy-5-methylthiophene-2-carboxylic acid

4-bromo-3-methoxy-5-methylthiophene-2-carboxylic acid

CAS No.:
113589-56-3
Catalog Number:
AG019SBV
Molecular Formula:
C7H7BrO3S
Molecular Weight:
251.0977
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Product Description
Catalog Number:
AG019SBV
Chemical Name:
4-bromo-3-methoxy-5-methylthiophene-2-carboxylic acid
CAS Number:
113589-56-3
Molecular Formula:
C7H7BrO3S
Molecular Weight:
251.0977
MDL Number:
MFCD20502025
IUPAC Name:
4-bromo-3-methoxy-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H7BrO3S/c1-3-4(8)5(11-2)6(12-3)7(9)10/h1-2H3,(H,9,10)
InChI Key:
MCZWVUIOGURPRA-UHFFFAOYSA-N
SMILES:
COc1c(sc(c1Br)C)C(=O)O
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.93g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.094g/mol
Monoisotopic Mass:
249.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties