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tert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

tert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

CAS: 1150561-75-3

Formula: C18H28BNO4

SMILES: CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(NC(=O)OC(C)(C)C)=C1

IUPAC: tert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

InChI: InChI=1S/C18H28BNO4/c1-12-9-10-13(19-23-17(5,6)18(7,8)24-19)14(11-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)

Composition: C (64.88%), H (8.47%), B (3.24%), N (4.20%), O (19.20%)

Molar Mass: 333.24

Atom Count: 52

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 333.211138
Formal Charge 0
FSP3 0.61
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WVTNHPZOSNRLET-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 91.05
Topological Polar Surface Area 56.79
Polarizability 36.86
Ring Count 2
Rotatable Bond Count 4

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97% <7 Days 1150561-75-3 $516.47-$2,342.21$516.47$2,342.21
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1150561-75-3 $434.70-$2,087.25$434.70$2,087.25
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