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95201-93-7 | Methyl 4-bromo-3-hydroxythiophene-2-carboxylate
CAS No: 95201-93-7 Catalog No: AG003RUR MDL No:MFCD00052081
Product Description
Catalog Number:
AG003RUR
Chemical Name:
Methyl 4-bromo-3-hydroxythiophene-2-carboxylate
CAS Number:
95201-93-7
Molecular Formula:
C6H5BrO3S
Molecular Weight:
237.0711
MDL Number:
MFCD00052081
IUPAC Name:
methyl 4-bromo-3-hydroxythiophene-2-carboxylate
InChI:
InChI=1S/C6H5BrO3S/c1-10-6(9)5-4(8)3(7)2-11-5/h2,8H,1H3
InChI Key:
UFTXASQYKJFRKI-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1O)Br
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:
2.7
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