2-(2,3-difluoro-4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

2-(2,3-difluoro-4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Formula: C12H12BF2NO5

SMILES: COC1=C(F)C(F)=C(C=C1)B1OC(=O)CN(C)CC(=O)O1

IUPAC: 2-(2,3-difluoro-4-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

InChI: InChI=1S/C12H12BF2NO5/c1-16-5-9(17)20-13(21-10(18)6-16)7-3-4-8(19-2)12(15)11(7)14/h3-4H,5-6H2,1-2H3

Composition: C (48.20%), H (4.04%), B (3.61%), F (12.71%), N (4.68%), O (26.75%)

Molar Mass: 299.04

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.077659
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RKGWERDDBPGMHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.67
Topological Polar Surface Area	65.07
Polarizability	25.94
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H12BF2NO5		Quote Only