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19201-53-7 | 3H-Indol-3-one, 6-bromo-2-(6-bromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
CAS No: 19201-53-7 Catalog No: AG002FM6 MDL No:
Product Description
Catalog Number:
AG002FM6
Chemical Name:
3H-Indol-3-one, 6-bromo-2-(6-bromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
CAS Number:
19201-53-7
Molecular Formula:
C16H8Br2N2O2
Molecular Weight:
420.0549
IUPAC Name:
6-bromo-2-(6-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
InChI:
InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19,21H
InChI Key:
UOZOCOQLYQNHII-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)NC(=C1Nc3c(C1=O)ccc(c3)Br)C2=O
UNII:
2O3DDL8TAF
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.893g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
420.06g/mol
Monoisotopic Mass:
417.895g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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