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Home > Indoles and Oxindole > 6952-13-2
6952-13-2 | 2-(5-nitro-1H-indol-3-yl)acetonitrile
CAS No: 6952-13-2 Catalog No: AG01A26S MDL No:MFCD04972094
Product Description
Catalog Number:
AG01A26S
Chemical Name:
2-(5-nitro-1H-indol-3-yl)acetonitrile
CAS Number:
6952-13-2
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
MDL Number:
MFCD04972094
IUPAC Name:
2-(5-nitro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7N3O2/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10/h1-2,5-6,12H,3H2
InChI Key:
BAYBZUUQTBZGPJ-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(cc2)[N+](=O)[O-]
NSC Number:
63021
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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