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797784-51-1 | Benzofuran, 5-bromo-7-ethyl-3-methyl-
CAS No: 797784-51-1 Catalog No: AG00569W MDL No:
Product Description
Catalog Number:
AG00569W
Chemical Name:
Benzofuran, 5-bromo-7-ethyl-3-methyl-
CAS Number:
797784-51-1
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
IUPAC Name:
5-bromo-7-ethyl-3-methyl-1-benzofuran
InChI:
InChI=1S/C11H11BrO/c1-3-8-4-9(12)5-10-7(2)6-13-11(8)10/h4-6H,3H2,1-2H3
InChI Key:
JIBWQONOLMQPIG-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc2c1occ2C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.112g/mol
Monoisotopic Mass:
237.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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