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1147548-82-0

1147548-82-0 | 1H-Inden-1-one, 6-bromo-2,3-dihydro-5-methyl-

CAS No: 1147548-82-0 Catalog No: AG000F63 MDL No:MFCD18208177

Product Description

Catalog Number:
AG000F63
Chemical Name:
1H-Inden-1-one, 6-bromo-2,3-dihydro-5-methyl-
CAS Number:
1147548-82-0
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD18208177
IUPAC Name:
6-bromo-5-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO/c1-6-4-7-2-3-10(12)8(7)5-9(6)11/h4-5H,2-3H2,1H3
InChI Key:
BDDRYMCLHQDWCG-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(Br)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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