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229342-84-1 | 2-Thiophenecarboxylic acid, 4-(bromomethyl)-3-chloro-, methyl ester
CAS No: 229342-84-1 Catalog No: AG002LKL MDL No:
Product Description
Catalog Number:
AG002LKL
Chemical Name:
2-Thiophenecarboxylic acid, 4-(bromomethyl)-3-chloro-, methyl ester
CAS Number:
229342-84-1
Molecular Formula:
C7H6BrClO2S
Molecular Weight:
269.5433
IUPAC Name:
methyl 4-(bromomethyl)-3-chlorothiophene-2-carboxylate
InChI:
InChI=1S/C7H6BrClO2S/c1-11-7(10)6-5(9)4(2-8)3-12-6/h3H,2H2,1H3
InChI Key:
QPKMILNWXPTHEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1Cl)CBr
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.896g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.537g/mol
Monoisotopic Mass:
267.896g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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