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2-nitro-4-fluorotoluene

2-nitro-4-fluorotoluene

CAS: 446-10-6

Formula: C7H6FNO2

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

IUPAC: 4-fluoro-1-methyl-2-nitrobenzene

InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

Composition: C (54.20%), H (3.90%), F (12.25%), N (9.03%), O (20.63%)

Molar Mass: 155.128

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 155.0382566
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SKWTUNAAJNDEIK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.64
Topological Polar Surface Area 43.14
Polarizability 13.73
Ring Count 1
Rotatable Bond Count 1

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