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176088-59-8 | 1H-Inden-1-one, 6-bromo-2,3-dihydro-2-methyl-
CAS No: 176088-59-8 Catalog No: AG0021EO MDL No:MFCD13152127
Product Description
Catalog Number:
AG0021EO
Chemical Name:
1H-Inden-1-one, 6-bromo-2,3-dihydro-2-methyl-
CAS Number:
176088-59-8
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD13152127
IUPAC Name:
6-bromo-2-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
InChI Key:
GMJKJIUETGRADG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(C2)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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