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873055-07-3 | 1H-Indole-2-carbonitrile,6-amino-
CAS No: 873055-07-3 Catalog No: AG004OUW MDL No:
Product Description
Catalog Number:
AG004OUW
Chemical Name:
1H-Indole-2-carbonitrile,6-amino-
CAS Number:
873055-07-3
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
6-amino-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H7N3/c10-5-8-3-6-1-2-7(11)4-9(6)12-8/h1-4,12H,11H2
InChI Key:
MNEBAWCHNGDKOY-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)cc(cc2)N
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:
1.4
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