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89346-34-9 | 1H-Indole, 1-acetyl-5-bromo-3-(2-methyl-3-nitrophenyl)-
CAS No: 89346-34-9 Catalog No: AG003ZCX MDL No:
Product Description
Catalog Number:
AG003ZCX
Chemical Name:
1H-Indole, 1-acetyl-5-bromo-3-(2-methyl-3-nitrophenyl)-
CAS Number:
89346-34-9
Molecular Formula:
C17H13BrN2O3
Molecular Weight:
373.2007
IUPAC Name:
1-[5-bromo-3-(2-methyl-3-nitrophenyl)indol-1-yl]ethanone
InChI:
InChI=1S/C17H13BrN2O3/c1-10-13(4-3-5-16(10)20(22)23)15-9-19(11(2)21)17-7-6-12(18)8-14(15)17/h3-9H,1-2H3
InChI Key:
PPTMUHNVTDVKAN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cn2C(=O)C)c1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.011g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.206g/mol
Monoisotopic Mass:
372.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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