5-fluoro-1,3-dimethyl-2-nitrobenzene

5-fluoro-1,3-dimethyl-2-nitrobenzene

CAS: 315-12-8

Formula: C8H8FNO2

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

IUPAC: 5-fluoro-1,3-dimethyl-2-nitrobenzene

InChI: InChI=1S/C8H8FNO2/c1-5-3-7(9)4-6(2)8(5)10(11)12/h3-4H,1-2H3

Composition: C (56.80%), H (4.77%), F (11.23%), N (8.28%), O (18.92%)

Molar Mass: 169.155

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.053906665
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KDPQDERPJHLWGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.68
Topological Polar Surface Area	43.14
Polarizability	15.47
Ring Count	1
Rotatable Bond Count	1

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