Home Halogens 2-bromo-5-methyl-3-Thiophenecarboxylic acid

2-bromo-5-methyl-3-Thiophenecarboxylic acid

CAS No.:
221061-14-9
Catalog Number:
AG00BJW9
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
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Product Description
Catalog Number:
AG00BJW9
Chemical Name:
2-bromo-5-methyl-3-Thiophenecarboxylic acid
CAS Number:
221061-14-9
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD11109385
IUPAC Name:
2-bromo-5-methylthiophene-3-carboxylic acid
InChI:
InChI=1S/C6H5BrO2S/c1-3-2-4(6(8)9)5(7)10-3/h2H,1H3,(H,8,9)
InChI Key:
DZMYKWBJZZTINV-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)C(=O)O)Br
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.919g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.068g/mol
Monoisotopic Mass:
219.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties