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903557-48-2 | 5-Bromo-4-methyl-2,3-dihydro-1H-inden-1-one
CAS No: 903557-48-2 Catalog No: AG0039XL MDL No:MFCD18208176
Product Description
Catalog Number:
AG0039XL
Chemical Name:
5-Bromo-4-methyl-2,3-dihydro-1H-inden-1-one
CAS Number:
903557-48-2
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD18208176
IUPAC Name:
5-bromo-4-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO/c1-6-7-3-5-10(12)8(7)2-4-9(6)11/h2,4H,3,5H2,1H3
InChI Key:
RBVCMJNAVNKSIV-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1ccc(c2C)Br
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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