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131750-27-1 | 1H-Inden-1-one, 6-bromo-2,3-dihydro-5,7-dimethyl-
CAS No: 131750-27-1 Catalog No: AG000ZOM MDL No:
Product Description
Catalog Number:
AG000ZOM
Chemical Name:
1H-Inden-1-one, 6-bromo-2,3-dihydro-5,7-dimethyl-
CAS Number:
131750-27-1
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
IUPAC Name:
6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H11BrO/c1-6-5-8-3-4-9(13)10(8)7(2)11(6)12/h5H,3-4H2,1-2H3
InChI Key:
WQHGVZCBXKEVIU-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(C)c(c(c2)C)Br
Properties
Complexity:
226
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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