Home Nitriles 7-Chloro-1H-indole-2-carbonitrile

7-Chloro-1H-indole-2-carbonitrile

CAS No.:
1264481-38-0
Catalog Number:
AG000ST2
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
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Product Description
Catalog Number:
AG000ST2
Chemical Name:
7-Chloro-1H-indole-2-carbonitrile
CAS Number:
1264481-38-0
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
MDL Number:
MFCD27922671
IUPAC Name:
7-chloro-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H5ClN2/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,12H
InChI Key:
VYNDPHOTSBJMAZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)c(Cl)ccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.603g/mol
Monoisotopic Mass:
176.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties