6-Chloroindole-5-carbonitrile


Chemical Name: 6-Chloroindole-5-carbonitrile
CAS Number: 1423120-66-4
Product Number: AG0034CP(AGN-PC-0WABY4)
Synonyms:
MDL No: MFCD23706334
Molecular Formula: C9H5ClN2
Molecular Weight: 176.6024

Identification/Properties


Computed Properties
Molecular Weight:
176.603g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
176.014g/mol
Monoisotopic Mass:
176.014g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
220
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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