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methyl 2-fluoro-6-nitrobenzoate

methyl 2-fluoro-6-nitrobenzoate

CAS: 212189-78-1

Formula: C8H6FNO4

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

IUPAC: methyl 2-fluoro-6-nitrobenzoate

InChI: InChI=1S/C8H6FNO4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3

Composition: C (48.25%), H (3.04%), F (9.54%), N (7.03%), O (32.14%)

Molar Mass: 199.137

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.02808584
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MJARIPZQSNWYMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.62
Topological Polar Surface Area 69.44
Polarizability 16.53
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 212189-78-1 $46.00-$184.00$46.00$184.00
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