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Home > Bromides > 1254319-51-1
1254319-51-1 | 6-Bromo-2-methylisoindolin-1-one
CAS No: 1254319-51-1 Catalog No: AG000NP1 MDL No:MFCD17676936
Product Description
Catalog Number:
AG000NP1
Chemical Name:
6-Bromo-2-methylisoindolin-1-one
CAS Number:
1254319-51-1
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD17676936
IUPAC Name:
6-bromo-2-methyl-3H-isoindol-1-one
InChI:
InChI=1S/C9H8BrNO/c1-11-5-6-2-3-7(10)4-8(6)9(11)12/h2-4H,5H2,1H3
InChI Key:
DPUVAXLWVRZASN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)N(C2)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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