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29421-99-6 | 4-Bromo-5-methylthiophene-2-carboxylic acid
CAS No: 29421-99-6 Catalog No: AG002YCH MDL No:MFCD01859873
Product Description
Catalog Number:
AG002YCH
Chemical Name:
4-Bromo-5-methylthiophene-2-carboxylic acid
CAS Number:
29421-99-6
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD01859873
IUPAC Name:
4-bromo-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5BrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
JUPQMRVILHTCOF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(s1)C)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
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