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Home > Nitro Compounds > 17615-42-8
17615-42-8 | 5-Nitro-2-pyrrolidin-1-ylbenzonitrile
CAS No: 17615-42-8 Catalog No: AG00HZOT MDL No:MFCD02930952
Product Description
Catalog Number:
AG00HZOT
Chemical Name:
5-Nitro-2-pyrrolidin-1-ylbenzonitrile
CAS Number:
17615-42-8
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD02930952
IUPAC Name:
5-nitro-2-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C11H11N3O2/c12-8-9-7-10(14(15)16)3-4-11(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChI Key:
LQNJKMAVTCVCCJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCCC1)[N+](=O)[O-]
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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