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ethyl 4-(difluoromethyl)benzoate

ethyl 4-(difluoromethyl)benzoate

CAS: 64747-71-3

Formula: C10H10F2O2

SMILES: CCOC(=O)C1=CC=C(C=C1)C(F)F

IUPAC: ethyl 4-(difluoromethyl)benzoate

InChI: InChI=1S/C10H10F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3

Composition: C (60.00%), H (5.04%), F (18.98%), O (15.98%)

Molar Mass: 200.185

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.064885888
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WISBDSSXPQJMIG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.92
Topological Polar Surface Area 26.3
Polarizability 17.94
Ring Count 1
Rotatable Bond Count 4

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