Text Search
Structure Search

2-(3,4-dichlorophenoxy)acetonitrile

2-(3,4-dichlorophenoxy)acetonitrile

Formula: C8H5Cl2NO

SMILES: ClC1=CC=C(OCC#N)C=C1Cl

IUPAC: 2-(3,4-dichlorophenoxy)acetonitrile

InChI: InChI=1S/C8H5Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,4H2

Composition: C (47.56%), H (2.49%), Cl (35.09%), N (6.93%), O (7.92%)

Molar Mass: 202.03

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.9748192
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NIQAEZYNTJNSMP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.19
Topological Polar Surface Area 33.02
Polarizability 18.37
Ring Count 1
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C8H5Cl2NO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote