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88062-71-9 | 1H-Isoindol-1-one, 6-bromo-3-ethyl-2,3-dihydro-3-hydroxy-2-phenyl-
CAS No: 88062-71-9 Catalog No: AG004L93 MDL No:
Product Description
Catalog Number:
AG004L93
Chemical Name:
1H-Isoindol-1-one, 6-bromo-3-ethyl-2,3-dihydro-3-hydroxy-2-phenyl-
CAS Number:
88062-71-9
Molecular Formula:
C16H14BrNO2
Molecular Weight:
332.1919
IUPAC Name:
6-bromo-3-ethyl-3-hydroxy-2-phenylisoindol-1-one
InChI:
InChI=1S/C16H14BrNO2/c1-2-16(20)14-9-8-11(17)10-13(14)15(19)18(16)12-6-4-3-5-7-12/h3-10,20H,2H2,1H3
InChI Key:
IHNBNDIPMIMOOW-UHFFFAOYSA-N
SMILES:
CCC1(O)c2ccc(cc2C(=O)N1c1ccccc1)Br
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.197g/mol
Monoisotopic Mass:
331.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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