Home Halogens 3-Thiophenecarboxylic acid, 5-bromo-2-methyl-, methyl ester

3-Thiophenecarboxylic acid, 5-bromo-2-methyl-, methyl ester

CAS No.:
1259396-11-6
Catalog Number:
AG000QKD
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
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Product Description
Catalog Number:
AG000QKD
Chemical Name:
3-Thiophenecarboxylic acid, 5-bromo-2-methyl-, methyl ester
CAS Number:
1259396-11-6
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD14636529
IUPAC Name:
methyl 5-bromo-2-methylthiophene-3-carboxylate
InChI:
InChI=1S/C7H7BrO2S/c1-4-5(7(9)10-2)3-6(8)11-4/h3H,1-2H3
InChI Key:
KOLUIHOYXGOSFO-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1C(=O)OC)Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.935g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.095g/mol
Monoisotopic Mass:
233.935g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties