Home Halogens methyl 5-bromo-4-methylthiophene-3-carboxylate

methyl 5-bromo-4-methylthiophene-3-carboxylate

CAS No.:
1519255-52-7
Catalog Number:
AG01ACRJ
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
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Product Description
Catalog Number:
AG01ACRJ
Chemical Name:
methyl 5-bromo-4-methylthiophene-3-carboxylate
CAS Number:
1519255-52-7
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD24107254
IUPAC Name:
methyl 5-bromo-4-methylthiophene-3-carboxylate
InChI:
InChI=1S/C7H7BrO2S/c1-4-5(7(9)10-2)3-11-6(4)8/h3H,1-2H3
InChI Key:
KCEGSCLXZUDMMM-UHFFFAOYSA-N
SMILES:
Cc1c(csc1Br)C(=O)OC
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:
2.8  
Properties