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1-fluoro-5-methoxy-2,4-dinitrobenzene

1-fluoro-5-methoxy-2,4-dinitrobenzene

CAS: 394-18-3

Formula: C7H5FN2O5

SMILES: COC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: 1-fluoro-5-methoxy-2,4-dinitrobenzene

InChI: InChI=1S/C7H5FN2O5/c1-15-7-2-4(8)5(9(11)12)3-6(7)10(13)14/h2-3H,1H3

Composition: C (38.90%), H (2.33%), F (8.79%), N (12.96%), O (37.01%)

Molar Mass: 216.124

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.018249432
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey BKYHMDNLFGUECN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.38
Topological Polar Surface Area 95.51
Polarizability 16.67
Ring Count 1
Rotatable Bond Count 3

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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 394-18-3 $554.00$554.00
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Chemcia Scientific, LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 394-18-3 $316.25-$454.25$316.25$454.25
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