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123342-03-0 | 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-5-methyl-, methyl ester
CAS No: 123342-03-0 Catalog No: AG000KE2 MDL No:MFCD17012775
Product Description
Catalog Number:
AG000KE2
Chemical Name:
2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-5-methyl-, methyl ester
CAS Number:
123342-03-0
Molecular Formula:
C8H9BrO3S
Molecular Weight:
265.1243
MDL Number:
MFCD17012775
IUPAC Name:
methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H9BrO3S/c1-4-5(9)6(11-2)7(13-4)8(10)12-3/h1-3H3
InChI Key:
YCJSWJOZRPKBBZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1OC)Br)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.121g/mol
Monoisotopic Mass:
263.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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