Home Nitriles 3-(6-Chloro-1H-indol-3-yl)-3-oxopropanenitrile

3-(6-Chloro-1H-indol-3-yl)-3-oxopropanenitrile

CAS No.:
1092299-42-7
Catalog Number:
AG00HBBI
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
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Product Description
Catalog Number:
AG00HBBI
Chemical Name:
3-(6-Chloro-1H-indol-3-yl)-3-oxopropanenitrile
CAS Number:
1092299-42-7
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD11106798
IUPAC Name:
3-(6-chloro-1H-indol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H7ClN2O/c12-7-1-2-8-9(11(15)3-4-13)6-14-10(8)5-7/h1-2,5-6,14H,3H2
InChI Key:
IVZYBUVHLPUYDV-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties