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Home > Bromides > 1245563-22-7
1245563-22-7 | 1H-Isoindol-1-one, 5-bromo-2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-
CAS No: 1245563-22-7 Catalog No: AG000M7E MDL No:MFCD17015788
Product Description
Catalog Number:
AG000M7E
Chemical Name:
1H-Isoindol-1-one, 5-bromo-2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-
CAS Number:
1245563-22-7
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD17015788
IUPAC Name:
5-bromo-2-tert-butyl-3-hydroxy-3H-isoindol-1-one
InChI:
InChI=1S/C12H14BrNO2/c1-12(2,3)14-10(15)8-5-4-7(13)6-9(8)11(14)16/h4-6,11,16H,1-3H3
InChI Key:
VAUUWFDGCFIPDZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(O)N(C2=O)C(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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