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ethyl 2,4-difluoro-5-nitrobenzoate

ethyl 2,4-difluoro-5-nitrobenzoate

CAS: 179011-37-1

Formula: C9H7F2NO4

SMILES: CCOC(=O)C1=C(F)C=C(F)C(=C1)[N+]([O-])=O

IUPAC: ethyl 2,4-difluoro-5-nitrobenzoate

InChI: InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-8(12(14)15)7(11)4-6(5)10/h3-4H,2H2,1H3

Composition: C (46.76%), H (3.05%), F (16.44%), N (6.06%), O (27.69%)

Molar Mass: 231.155

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.034314035
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HKGIEPXOWGJFCW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.59
Topological Polar Surface Area 69.44
Polarizability 18.19
Ring Count 1
Rotatable Bond Count 4

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