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265652-38-8 | 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, methyl ester
CAS No: 265652-38-8 Catalog No: AG002TPL MDL No:MFCD14584476
Product Description
Catalog Number:
AG002TPL
Chemical Name:
2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, methyl ester
CAS Number:
265652-38-8
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD14584476
IUPAC Name:
methyl 4-bromo-3-methylthiophene-2-carboxylate
InChI:
InChI=1S/C7H7BrO2S/c1-4-5(8)3-11-6(4)7(9)10-2/h3H,1-2H3
InChI Key:
ZTDYZXWQADNRRI-UHFFFAOYSA-N
SMILES:
Cc1c(scc1Br)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
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