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methyl 2-(4-fluoro-2-nitrophenyl)acetate

methyl 2-(4-fluoro-2-nitrophenyl)acetate

CAS: 147124-38-7

Formula: C9H8FNO4

SMILES: COC(=O)CC1=C(C=C(F)C=C1)[N+]([O-])=O

IUPAC: methyl 2-(4-fluoro-2-nitrophenyl)acetate

InChI: InChI=1S/C9H8FNO4/c1-15-9(12)4-6-2-3-7(10)5-8(6)11(13)14/h2-3,5H,4H2,1H3

Composition: C (50.71%), H (3.78%), F (8.91%), N (6.57%), O (30.02%)

Molar Mass: 213.164

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.043735905
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JIXJGYUIDQQFSI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.67
Topological Polar Surface Area 69.44
Polarizability 18.35
Ring Count 1
Rotatable Bond Count 4

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