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116487-43-5 | 1H-Benz[e]indole-1,2(3H)-dione, 7-bromo-
CAS No: 116487-43-5 Catalog No: AG000CLV MDL No:
Product Description
Catalog Number:
AG000CLV
Chemical Name:
1H-Benz[e]indole-1,2(3H)-dione, 7-bromo-
CAS Number:
116487-43-5
Molecular Formula:
C12H6BrNO2
Molecular Weight:
276.0855
IUPAC Name:
7-bromo-3H-benzo[e]indole-1,2-dione
InChI:
InChI=1S/C12H6BrNO2/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(15)12(16)14-9/h1-5H,(H,14,15,16)
InChI Key:
SIBCTUAQBGSCEE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc1c2C(=O)C(=O)N1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.958g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.089g/mol
Monoisotopic Mass:
274.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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