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4-chloro-5-fluoro-2-nitrobenzoic acid

4-chloro-5-fluoro-2-nitrobenzoic acid

CAS: 129951-45-7

Formula: C7H3ClFNO4

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

IUPAC: 4-chloro-5-fluoro-2-nitrobenzoic acid

InChI: InChI=1S/C7H3ClFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)

Composition: C (38.29%), H (1.38%), Cl (16.15%), F (8.65%), N (6.38%), O (29.15%)

Molar Mass: 219.55

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.9734634
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GGTQVIUWLUDQKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.66
Topological Polar Surface Area 80.44
Polarizability 16.55
Ring Count 1
Rotatable Bond Count 2

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95% <2 Days 129951-45-7 $103.50-$327.75$103.50$327.75
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