Home Nitriles 1H-Indole-3-carbonitrile, 5-amino-

1H-Indole-3-carbonitrile, 5-amino-

CAS No.:
159768-57-7
Catalog Number:
AG001RE7
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
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Product Description
Catalog Number:
AG001RE7
Chemical Name:
1H-Indole-3-carbonitrile, 5-amino-
CAS Number:
159768-57-7
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD07776149
IUPAC Name:
5-amino-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H7N3/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,12H,11H2
InChI Key:
HQJKORKNJCYTNG-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cc(N)cc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties