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162848-23-9 | 3-Thiophenecarboxylic acid, 5-bromo-4-methoxy-
CAS No: 162848-23-9 Catalog No: AG001TH7 MDL No:MFCD00068031
Product Description
Catalog Number:
AG001TH7
Chemical Name:
3-Thiophenecarboxylic acid, 5-bromo-4-methoxy-
CAS Number:
162848-23-9
Molecular Formula:
C6H5BrO3S
Molecular Weight:
237.0711
MDL Number:
MFCD00068031
IUPAC Name:
5-bromo-4-methoxythiophene-3-carboxylic acid
InChI:
InChI=1S/C6H5BrO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
InChI Key:
OMNYIQIDPSRNES-UHFFFAOYSA-N
SMILES:
COc1c(Br)scc1C(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.914g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.067g/mol
Monoisotopic Mass:
235.914g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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