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Home > Indoles and Oxindole > 96631-87-7
96631-87-7 | 1H-Indole-7-carbonitrile
CAS No: 96631-87-7 Catalog No: AG003NF1 MDL No:MFCD00800653
Product Description
Catalog Number:
AG003NF1
Chemical Name:
1H-Indole-7-carbonitrile
CAS Number:
96631-87-7
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00800653
IUPAC Name:
1H-indole-7-carbonitrile
InChI:
InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H
InChI Key:
NTUHBYLZRBVHRS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1[nH]cc2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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