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3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile

3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile

Formula: C9H5ClN2O3

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

IUPAC: 3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile

InChI: InChI=1S/C9H5ClN2O3/c10-7-2-1-6(9(13)3-4-11)5-8(7)12(14)15/h1-2,5H,3H2

Composition: C (48.13%), H (2.24%), Cl (15.78%), N (12.47%), O (21.37%)

Molar Mass: 224.6

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.9988697
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LHZKCPQVNPRSEU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.91
Topological Polar Surface Area 84
Polarizability 19.68
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H5ClN2O3 $700.00-$4,224.00$700.00$2,420.00$4,224.00
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