Text Search
Structure Search

2-[4-(4-chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile

2-[4-(4-chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile

CAS: 945367-66-8

Formula: C17H15ClN4O2

SMILES: [O-][N+](=O)C1=CC(C#N)=C(C=C1)N1CCN(CC1)C1=CC=C(Cl)C=C1

IUPAC: 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile

InChI: InChI=1S/C17H15ClN4O2/c18-14-1-3-15(4-2-14)20-7-9-21(10-8-20)17-6-5-16(22(23)24)11-13(17)12-19/h1-6,11H,7-10H2

Composition: C (59.57%), H (4.41%), Cl (10.34%), N (16.35%), O (9.33%)

Molar Mass: 342.78

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 342.0883534
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey FUGYRFZNEYAQEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.88
Topological Polar Surface Area 73.41
Polarizability 34.41
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 945367-66-8 $202.14$202.14
Request Quote