2,3,4,5,6-pentafluorophenyl 17-azido-3,6,9,12,15-pentaoxaheptadecanoate

2,3,4,5,6-pentafluorophenyl 17-azido-3,6,9,12,15-pentaoxaheptadecanoate

CAS: 2144777-92-2

Formula: C18H22F5N3O7

SMILES: FC1=C(F)C(F)=C(OC(=O)COCCOCCOCCOCCOCCN=[N+]=[N-])C(F)=C1F

IUPAC: 2,3,4,5,6-pentafluorophenyl 17-azido-3,6,9,12,15-pentaoxaheptadecanoate

InChI: InChI=1S/C18H22F5N3O7/c19-13-14(20)16(22)18(17(23)15(13)21)33-12(27)11-32-10-9-31-8-7-30-6-5-29-4-3-28-2-1-25-26-24/h1-11H2

Composition: C (44.36%), H (4.55%), F (19.49%), N (8.62%), O (22.98%)

Molar Mass: 487.38

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	487.137790875
Formal Charge	0
FSP3	0.61
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	NITGTHWASXRERB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.48
Topological Polar Surface Area	101.88
Polarizability	38.2
Ring Count	1
Rotatable Bond Count	19

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