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114858-36-5 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(dibromomethyl)-2-pyridinyl]-
CAS No: 114858-36-5 Catalog No: AG000FC4 MDL No:
Product Description
Catalog Number:
AG000FC4
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(dibromomethyl)-2-pyridinyl]-
CAS Number:
114858-36-5
Molecular Formula:
C14H8Br2N2O2
Molecular Weight:
396.0335
IUPAC Name:
2-[3-(dibromomethyl)pyridin-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C14H8Br2N2O2/c15-11(16)10-6-3-7-17-12(10)18-13(19)8-4-1-2-5-9(8)14(18)20/h1-7,11H
InChI Key:
RCHPCBLFKOXJCN-UHFFFAOYSA-N
SMILES:
BrC(c1cccnc1N1C(=O)c2c(C1=O)cccc2)Br
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.893g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.038g/mol
Monoisotopic Mass:
393.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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