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

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

CAS: 1032528-06-5

Formula: C21H32BNO4

SMILES: CC(C)(C)OC(=O)NC1(CCC1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C21H32BNO4/c1-18(2,3)25-17(24)23-21(13-8-14-21)15-9-11-16(12-10-15)22-26-19(4,5)20(6,7)27-22/h9-12H,8,13-14H2,1-7H3,(H,23,24)

Composition: C (67.57%), H (8.64%), B (2.90%), N (3.75%), O (17.14%)

Molar Mass: 373.3

Atom Count: 59

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 373.242439
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AYUCJBOQVMWQJD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.76
Topological Polar Surface Area 56.79
Polarizability 41.74
Ring Count 3
Rotatable Bond Count 5

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