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116270-39-4 | 3H-Indol-3-one, 1-acetyl-5-bromo-4-chloro-1,2-dihydro-
CAS No: 116270-39-4 Catalog No: AG000C2L MDL No:
Product Description
Catalog Number:
AG000C2L
Chemical Name:
3H-Indol-3-one, 1-acetyl-5-bromo-4-chloro-1,2-dihydro-
CAS Number:
116270-39-4
Molecular Formula:
C10H7BrClNO2
Molecular Weight:
288.5251
IUPAC Name:
1-acetyl-5-bromo-4-chloro-2H-indol-3-one
InChI:
InChI=1S/C10H7BrClNO2/c1-5(14)13-4-8(15)9-7(13)3-2-6(11)10(9)12/h2-3H,4H2,1H3
InChI Key:
ACRKWYSLKIICNW-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC(=O)c2c1ccc(c2Cl)Br
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.935g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.525g/mol
Monoisotopic Mass:
286.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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