4,5-bis(acetyloxy)-2-[(2,2,2-trichloroethanimidoyl)oxy]oxan-3-yl acetate

4,5-bis(acetyloxy)-2-[(2,2,2-trichloroethanimidoyl)oxy]oxan-3-yl acetate

CAS: 869848-87-3

Formula: C13H16Cl3NO8

SMILES: CC(=O)OC1COC(OC(=N)C(Cl)(Cl)Cl)C(OC(C)=O)C1OC(C)=O

IUPAC: 4,5-bis(acetyloxy)-2-[(2,2,2-trichloroethanimidoyl)oxy]oxan-3-yl acetate

InChI: InChI=1/C13H16Cl3NO8/c1-5(18)22-8-4-21-11(25-12(17)13(14,15)16)10(24-7(3)20)9(8)23-6(2)19/h8-11,17H,4H2,1-3H3

Composition: C (37.12%), H (3.83%), Cl (25.28%), N (3.33%), O (30.43%)

Molar Mass: 420.62

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	418.9941496
Formal Charge	0
FSP3	0.69
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	NAGHJYXWJQCCPK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.82
Topological Polar Surface Area	121.21
Polarizability	34.49
Ring Count	1
Rotatable Bond Count	9

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98%	<14 Days	869848-87-3		Quote Only