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820210-24-0 | 1H-Indole, 5-chloro-1-propyl-
CAS No: 820210-24-0 Catalog No: AG005E5A MDL No:
Product Description
Catalog Number:
AG005E5A
Chemical Name:
1H-Indole, 5-chloro-1-propyl-
CAS Number:
820210-24-0
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
IUPAC Name:
5-chloro-1-propylindole
InChI:
InChI=1S/C11H12ClN/c1-2-6-13-7-5-9-8-10(12)3-4-11(9)13/h3-5,7-8H,2,6H2,1H3
InChI Key:
VSOKLEMRXYURCZ-UHFFFAOYSA-N
SMILES:
CCCn1ccc2c1ccc(c2)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.674g/mol
Monoisotopic Mass:
193.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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