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159891-30-2 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(bromomethyl)-4-methoxyphenyl]-
CAS No: 159891-30-2 Catalog No: AG001RHC MDL No:
Product Description
Catalog Number:
AG001RHC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(bromomethyl)-4-methoxyphenyl]-
CAS Number:
159891-30-2
Molecular Formula:
C16H12BrNO3
Molecular Weight:
346.1754
IUPAC Name:
2-[2-(bromomethyl)-4-methoxyphenyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H12BrNO3/c1-21-11-6-7-14(10(8-11)9-17)18-15(19)12-4-2-3-5-13(12)16(18)20/h2-8H,9H2,1H3
InChI Key:
GDSQITCGOSYSQF-UHFFFAOYSA-N
SMILES:
BrCc1cc(OC)ccc1N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.18g/mol
Monoisotopic Mass:
345g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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