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26137-07-5 | 2-Thiophenecarboxylic acid, 4-(4-bromophenyl)-, methyl ester
CAS No: 26137-07-5 Catalog No: AG002RU3 MDL No:MFCD03407985
Product Description
Catalog Number:
AG002RU3
Chemical Name:
2-Thiophenecarboxylic acid, 4-(4-bromophenyl)-, methyl ester
CAS Number:
26137-07-5
Molecular Formula:
C12H9BrO2S
Molecular Weight:
297.1677
MDL Number:
MFCD03407985
IUPAC Name:
methyl 4-(4-bromophenyl)thiophene-2-carboxylate
InChI:
InChI=1S/C12H9BrO2S/c1-15-12(14)11-6-9(7-16-11)8-2-4-10(13)5-3-8/h2-7H,1H3
InChI Key:
DNVMJKVPBOOKHZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1)c1ccc(cc1)Br
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.166g/mol
Monoisotopic Mass:
295.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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