2,5-dioxopyrrolidin-1-yl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbonate

2,5-dioxopyrrolidin-1-yl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbonate

CAS: 1255209-41-6

Formula: C18H22BNO7

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(COC(=O)ON2C(=O)CCC2=O)C=C1

IUPAC: 2,5-dioxopyrrolidin-1-yl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbonate

InChI: InChI=1S/C18H22BNO7/c1-17(2)18(3,4)27-19(26-17)13-7-5-12(6-8-13)11-24-16(23)25-20-14(21)9-10-15(20)22/h5-8H,9-11H2,1-4H3

Composition: C (57.62%), H (5.91%), B (2.88%), N (3.73%), O (29.85%)

Molar Mass: 375.18

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	375.148932
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	LLVFCJGCTPWGKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.09
Topological Polar Surface Area	91.37
Polarizability	37.14
Ring Count	3
Rotatable Bond Count	6

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