Home Nitriles 3-Chloro-1H-indole-2-carbonitrile

3-Chloro-1H-indole-2-carbonitrile

CAS No.:
74960-46-6
Catalog Number:
AG00GFZP
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
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Product Description
Catalog Number:
AG00GFZP
Chemical Name:
3-Chloro-1H-indole-2-carbonitrile
CAS Number:
74960-46-6
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
MDL Number:
MFCD22126114
IUPAC Name:
3-chloro-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H5ClN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H
InChI Key:
ZJPXWLZSUROYHX-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c2c(c1Cl)cccc2
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