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3-chloro-3-(3-fluorophenyl)prop-2-enenitrile

3-chloro-3-(3-fluorophenyl)prop-2-enenitrile

Formula: C9H5ClFN

SMILES: FC1=CC=CC(=C1)C(Cl)=CC#N

IUPAC: 3-chloro-3-(3-fluorophenyl)prop-2-enenitrile

InChI: InChI=1S/C9H5ClFN/c10-9(4-5-12)7-2-1-3-8(11)6-7/h1-4,6H

Composition: C (59.53%), H (2.78%), Cl (19.52%), F (10.46%), N (7.71%)

Molar Mass: 181.59

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.009455
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SKCYOZPXZHBKBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.97
Topological Polar Surface Area 23.79
Polarizability 16.98
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C9H5ClFN Quote Only