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88150-23-6 | 1H-Indole, 1-(3-chloro-1-oxopropyl)-
CAS No: 88150-23-6 Catalog No: AG004ECJ MDL No:
Product Description
Catalog Number:
AG004ECJ
Chemical Name:
1H-Indole, 1-(3-chloro-1-oxopropyl)-
CAS Number:
88150-23-6
Molecular Formula:
C11H10ClNO
Molecular Weight:
207.6562
IUPAC Name:
3-chloro-1-indol-1-ylpropan-1-one
InChI:
InChI=1S/C11H10ClNO/c12-7-5-11(14)13-8-6-9-3-1-2-4-10(9)13/h1-4,6,8H,5,7H2
InChI Key:
XRTBEGXVQOHRGF-UHFFFAOYSA-N
SMILES:
ClCCC(=O)n1ccc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.657g/mol
Monoisotopic Mass:
207.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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