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18775-40-1 | Ethanone, 1-(5-bromo-7-ethyl-2-benzofuranyl)-2-chloro-
CAS No: 18775-40-1 Catalog No: AG002GHI MDL No:
Product Description
Catalog Number:
AG002GHI
Chemical Name:
Ethanone, 1-(5-bromo-7-ethyl-2-benzofuranyl)-2-chloro-
CAS Number:
18775-40-1
Molecular Formula:
C12H10BrClO2
Molecular Weight:
301.5636
IUPAC Name:
1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanone
InChI:
InChI=1S/C12H10BrClO2/c1-2-7-3-9(13)4-8-5-11(10(15)6-14)16-12(7)8/h3-5H,2,6H2,1H3
InChI Key:
SYSQCQYOHVPKJZ-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc2c(o1)c(CC)cc(c2)Br
EC Number:
242-563-7
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.955g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.564g/mol
Monoisotopic Mass:
299.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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