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

2-amino-1H-indole-3-carbonitrile

CAS No.:
131816-47-2
Catalog Number:
AG01AL8F
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
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Product Description
Catalog Number:
AG01AL8F
Chemical Name:
2-amino-1H-indole-3-carbonitrile
CAS Number:
131816-47-2
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD02257781
IUPAC Name:
2-amino-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H7N3/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,12H,11H2
InChI Key:
VUJHHCISRCAVOU-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)[nH]c2c1cccc2
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:
2  
Properties