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methyl 2-(5-fluoro-2-nitrophenyl)prop-2-enoate

methyl 2-(5-fluoro-2-nitrophenyl)prop-2-enoate

CAS: 494836-63-4

Formula: C10H8FNO4

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

IUPAC: methyl 2-(5-fluoro-2-nitrophenyl)prop-2-enoate

InChI: InChI=1S/C10H8FNO4/c1-6(10(13)16-2)8-5-7(11)3-4-9(8)12(14)15/h3-5H,1H2,2H3

Composition: C (53.34%), H (3.58%), F (8.44%), N (6.22%), O (28.42%)

Molar Mass: 225.175

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.043735905
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZFGGYMKJIHQMJN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.05
Topological Polar Surface Area 69.44
Polarizability 19.9
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 494836-63-4 $235.87-$2,476.66$235.87$412.78$825.55$2,476.66
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