4-chloro-1-fluoro-2-nitrobenzene

4-chloro-1-fluoro-2-nitrobenzene

CAS: 345-18-6

Formula: C6H3ClFNO2

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

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

InChI: InChI=1S/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Composition: C (41.05%), H (1.72%), Cl (20.19%), F (10.82%), N (7.98%), O (18.23%)

Molar Mass: 175.54

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.9836342
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DIAWBHLTWNWYGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.4
Topological Polar Surface Area	43.14
Polarizability	13.97
Ring Count	1
Rotatable Bond Count	1

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