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1000343-47-4 | Ethanone, 1-(7-amino-5-bromo-1H-indol-1-yl)-
CAS No: 1000343-47-4 Catalog No: AG0000LQ MDL No:
Product Description
Catalog Number:
AG0000LQ
Chemical Name:
Ethanone, 1-(7-amino-5-bromo-1H-indol-1-yl)-
CAS Number:
1000343-47-4
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
IUPAC Name:
1-(7-amino-5-bromoindol-1-yl)ethanone
InChI:
InChI=1S/C10H9BrN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h2-5H,12H2,1H3
InChI Key:
DWQFLZCPHJMNON-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c2c(c1)ccn2C(=O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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