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

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

CAS No.:
854627-16-0
Catalog Number:
AG01AGBU
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
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Product Description
Catalog Number:
AG01AGBU
Chemical Name:
3-bromo-4-methylthiophene-2-carboxylic acid
CAS Number:
854627-16-0
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD03426927
IUPAC Name:
3-bromo-4-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5BrO2S/c1-3-2-10-5(4(3)7)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
DQOPXMCMKCJDPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1Br)C
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:
2.5  
Properties