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1-chloro-2-fluoro-4-methyl-5-nitrobenzene

1-chloro-2-fluoro-4-methyl-5-nitrobenzene

CAS: 118664-99-6

Formula: C7H5ClFNO2

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

IUPAC: 1-chloro-2-fluoro-4-methyl-5-nitrobenzene

InChI: InChI=1S/C7H5ClFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3

Composition: C (44.35%), H (2.66%), Cl (18.70%), F (10.02%), N (7.39%), O (16.88%)

Molar Mass: 189.57

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.9992843
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WZEMBGOGKOKTDW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.44
Topological Polar Surface Area 43.14
Polarizability 15.73
Ring Count 1
Rotatable Bond Count 1

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