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90224-73-0 | 5-Bromo-2-methylisoindoline-1,3-dione
CAS No: 90224-73-0 Catalog No: AG003L0S MDL No:MFCD00574083
Product Description
Catalog Number:
AG003L0S
Chemical Name:
5-Bromo-2-methylisoindoline-1,3-dione
CAS Number:
90224-73-0
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00574083
IUPAC Name:
5-bromo-2-methylisoindole-1,3-dione
InChI:
InChI=1S/C9H6BrNO2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,1H3
InChI Key:
BEIQHTQYTDPHLX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)N(C2=O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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