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13129-71-0 | 1H-Indole-2,3-dione, 5-bromo-1-(1-piperidinylmethyl)-
CAS No: 13129-71-0 Catalog No: AG000VV2 MDL No:
Product Description
Catalog Number:
AG000VV2
Chemical Name:
1H-Indole-2,3-dione, 5-bromo-1-(1-piperidinylmethyl)-
CAS Number:
13129-71-0
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
IUPAC Name:
5-bromo-1-(piperidin-1-ylmethyl)indole-2,3-dione
InChI:
InChI=1S/C14H15BrN2O2/c15-10-4-5-12-11(8-10)13(18)14(19)17(12)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChI Key:
CBXXNBZEJGJYIX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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