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ethyl 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole-2-carboxylate

ethyl 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole-2-carboxylate

CAS: 2716849-18-0

Formula: C13H20BNO5

SMILES: CCOC(=O)C1=NC(C)=C(O1)B1OC(C)(C)C(C)(C)O1

IUPAC: ethyl 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole-2-carboxylate

InChI: InChI=1S/C13H20BNO5/c1-7-17-11(16)10-15-8(2)9(18-10)14-19-12(3,4)13(5,6)20-14/h7H2,1-6H3

Composition: C (55.54%), H (7.17%), B (3.85%), N (4.98%), O (28.46%)

Molar Mass: 281.12

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.143453
Formal Charge 0
FSP3 0.69
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XRSZXTCCANPTSA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.52
Topological Polar Surface Area 70.79
Polarizability 28.1
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2716849-18-0 $457.70-$7,912.00$457.70$687.70$917.70$1,472.00$2,162.00$7,912.00
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