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Home > Bromides > 1260012-96-1
1260012-96-1 | 1H-Inden-1-one, 7-bromo-2,3-dihydro-6-methyl-
CAS No: 1260012-96-1 Catalog No: AG000QQA MDL No:
Product Description
Catalog Number:
AG000QQA
Chemical Name:
1H-Inden-1-one, 7-bromo-2,3-dihydro-6-methyl-
CAS Number:
1260012-96-1
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
IUPAC Name:
7-bromo-6-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO/c1-6-2-3-7-4-5-8(12)9(7)10(6)11/h2-3H,4-5H2,1H3
InChI Key:
XHDQVHPRQPQGFU-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(Br)c(cc2)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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