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75822-43-4 | 1H-Indole-2,3-dione, 1-[2-(4-bromophenyl)-2-oxoethyl]-
CAS No: 75822-43-4 Catalog No: AG005I3Y MDL No:
Product Description
Catalog Number:
AG005I3Y
Chemical Name:
1H-Indole-2,3-dione, 1-[2-(4-bromophenyl)-2-oxoethyl]-
CAS Number:
75822-43-4
Molecular Formula:
C16H10BrNO3
Molecular Weight:
344.1595
IUPAC Name:
1-[2-(4-bromophenyl)-2-oxoethyl]indole-2,3-dione
InChI:
InChI=1S/C16H10BrNO3/c17-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(20)16(18)21/h1-8H,9H2
InChI Key:
LBYZEKJMKCUIOV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CN1c2ccccc2C(=O)C1=O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.984g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.164g/mol
Monoisotopic Mass:
342.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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