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181063-64-9 | 2-Thiophenecarboxylic acid, 5-bromo-3-methoxy-, methyl ester
CAS No: 181063-64-9 Catalog No: AG0022NI MDL No:
Product Description
Catalog Number:
AG0022NI
Chemical Name:
2-Thiophenecarboxylic acid, 5-bromo-3-methoxy-, methyl ester
CAS Number:
181063-64-9
Molecular Formula:
C7H7BrO3S
Molecular Weight:
251.0977
IUPAC Name:
methyl 5-bromo-3-methoxythiophene-2-carboxylate
InChI:
InChI=1S/C7H7BrO3S/c1-10-4-3-5(8)12-6(4)7(9)11-2/h3H,1-2H3
InChI Key:
UPDYKCWNEYBRGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1OC)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.094g/mol
Monoisotopic Mass:
249.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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