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1,2-difluoro-3-methyl-4-nitrobenzene

1,2-difluoro-3-methyl-4-nitrobenzene

CAS: 914348-35-9

Formula: C7H5F2NO2

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

IUPAC: 1,2-difluoro-3-methyl-4-nitrobenzene

InChI: InChI=1S/C7H5F2NO2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,1H3

Composition: C (48.57%), H (2.91%), F (21.95%), N (8.09%), O (18.48%)

Molar Mass: 173.119

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.028834731
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ODMLBEQUDLHJMW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.85
Topological Polar Surface Area 43.14
Polarizability 13.58
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 914348-35-9 $17.65-$524.58$17.65$42.87$147.54$253.46$524.58
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