4-azido-2,3,5,6-tetrafluorobenzoic acid

4-azido-2,3,5,6-tetrafluorobenzoic acid

CAS: 122590-77-6

Formula: C7HF4N3O2

SMILES: OC(=O)C1=C(F)C(F)=C(N=[N+]=[N-])C(F)=C1F

IUPAC: 4-azido-2,3,5,6-tetrafluorobenzoic acid

InChI: InChI=1S/C7HF4N3O2/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)13-14-12/h(H,15,16)

Composition: C (35.76%), H (0.43%), F (32.32%), N (17.87%), O (13.61%)

Molar Mass: 235.098

Atom Count: 17

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.000488936
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IOJFHZXQSLNAQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.47
Topological Polar Surface Area	66.73
Polarizability	14.63
Ring Count	1
Rotatable Bond Count	2

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