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ethyl 4-cyano-2-fluorobenzoate

ethyl 4-cyano-2-fluorobenzoate

CAS: 220389-15-1

Formula: C10H8FNO2

SMILES: CCOC(=O)C1=C(F)C=C(C=C1)C#N

IUPAC: ethyl 4-cyano-2-fluorobenzoate

InChI: InChI=1S/C10H8FNO2/c1-2-14-10(13)8-4-3-7(6-12)5-9(8)11/h3-5H,2H2,1H3

Composition: C (62.18%), H (4.17%), F (9.83%), N (7.25%), O (16.56%)

Molar Mass: 193.177

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 193.053906665
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZAAOWPGLLZUDHX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.77
Topological Polar Surface Area 50.09
Polarizability 18.15
Ring Count 1
Rotatable Bond Count 3

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