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4-chloro-2-fluoro-5-nitroaniline

4-chloro-2-fluoro-5-nitroaniline

CAS: 86988-02-5

Formula: C6H4ClFN2O2

SMILES: NC1=C(F)C=C(Cl)C(=C1)[N+]([O-])=O

IUPAC: 4-chloro-2-fluoro-5-nitroaniline

InChI: InChI=1S/C6H4ClFN2O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,9H2

Composition: C (37.82%), H (2.12%), Cl (18.60%), F (9.97%), N (14.70%), O (16.79%)

Molar Mass: 190.56

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.9945332
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WRULFQRXGSSDPQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.1
Topological Polar Surface Area 69.16
Polarizability 15.18
Ring Count 1
Rotatable Bond Count 1

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