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70478-63-6 | 4-Bromoisoindoline-1,3-dione
CAS No: 70478-63-6 Catalog No: AG005IKD MDL No:MFCD15144658
Product Description
Catalog Number:
AG005IKD
Chemical Name:
4-Bromoisoindoline-1,3-dione
CAS Number:
70478-63-6
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
MDL Number:
MFCD15144658
IUPAC Name:
4-bromoisoindole-1,3-dione
InChI:
InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,(H,10,11,12)
InChI Key:
ANENLORAJJKWAA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(Br)ccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.943g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.029g/mol
Monoisotopic Mass:
224.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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