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

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

CAS: 170098-88-1

Formula: C7H5ClFNO2

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

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

InChI: InChI=1S/C7H5ClFNO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/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	DPWZCTKTAOOLAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.44
Topological Polar Surface Area	43.14
Polarizability	15.7
Ring Count	1
Rotatable Bond Count	1

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