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116621-13-7 | 1-Propanone, 1-[6-(2-chloroacetyl)-1H-indol-1-yl]-2,2-dimethyl-
CAS No: 116621-13-7 Catalog No: AG000CWH MDL No:
Product Description
Catalog Number:
AG000CWH
Chemical Name:
1-Propanone, 1-[6-(2-chloroacetyl)-1H-indol-1-yl]-2,2-dimethyl-
CAS Number:
116621-13-7
Molecular Formula:
C15H16ClNO2
Molecular Weight:
277.7460
IUPAC Name:
1-[6-(2-chloroacetyl)indol-1-yl]-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C15H16ClNO2/c1-15(2,3)14(19)17-7-6-10-4-5-11(8-12(10)17)13(18)9-16/h4-8H,9H2,1-3H3
InChI Key:
ZLXNUZCUMDLCOM-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc2c(c1)n(cc2)C(=O)C(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.748g/mol
Monoisotopic Mass:
277.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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