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124617-51-2 | Ethanone, 2-bromo-1-(2-methyl-3-benzofuranyl)-
CAS No: 124617-51-2 Catalog No: AG000MHE MDL No:
Product Description
Catalog Number:
AG000MHE
Chemical Name:
Ethanone, 2-bromo-1-(2-methyl-3-benzofuranyl)-
CAS Number:
124617-51-2
Molecular Formula:
C11H9BrO2
Molecular Weight:
253.0920
IUPAC Name:
2-bromo-1-(2-methyl-1-benzofuran-3-yl)ethanone
InChI:
InChI=1S/C11H9BrO2/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChI Key:
VMQGDUCNLSCDAS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c(C)oc2c1cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.095g/mol
Monoisotopic Mass:
251.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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