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2,4-dichloro-5-fluoro-3-nitrobenzoic acid

2,4-dichloro-5-fluoro-3-nitrobenzoic acid

CAS: 106809-14-7

Formula: C7H2Cl2FNO4

SMILES: OC(=O)C1=CC(F)=C(Cl)C(=C1Cl)[N+]([O-])=O

IUPAC: 2,4-dichloro-5-fluoro-3-nitrobenzoic acid

InChI: InChI=1S/C7H2Cl2FNO4/c8-4-2(7(12)13)1-3(10)5(9)6(4)11(14)15/h1H,(H,12,13)

Composition: C (33.10%), H (0.79%), Cl (27.91%), F (7.48%), N (5.51%), O (25.20%)

Molar Mass: 253.99

Atom Count: 17

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.9344911
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PCSAPCNEJUEIGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.46
Topological Polar Surface Area 80.44
Polarizability 18.63
Ring Count 1
Rotatable Bond Count 2

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