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5-fluoro-3-methyl-2-nitrobenzoic acid

5-fluoro-3-methyl-2-nitrobenzoic acid

CAS: 952479-96-8

Formula: C8H6FNO4

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

IUPAC: 5-fluoro-3-methyl-2-nitrobenzoic acid

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

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 4
Hydrogen Bond Donor Count 1
InChIKey WKBHDCDQVWTTJV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.89
Topological Polar Surface Area 80.44
Polarizability 16.24
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 952479-96-8 $230.00-$1,132.75$230.00$333.50$1,132.75
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