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benzyl N-{1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl}carbamate

benzyl N-{1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl}carbamate

CAS: 1256359-24-6

Formula: C23H28BNO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C1(CC1)NC(=O)OCC1=CC=CC=C1

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

InChI: InChI=1S/C23H28BNO4/c1-21(2)22(3,4)29-24(28-21)19-12-10-18(11-13-19)23(14-15-23)25-20(26)27-16-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,25,26)

Composition: C (70.24%), H (7.18%), B (2.75%), N (3.56%), O (16.27%)

Molar Mass: 393.29

Atom Count: 57

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 393.211138
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LGSWMPZPBDFVAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 106.97
Topological Polar Surface Area 56.79
Polarizability 43.97
Ring Count 4
Rotatable Bond Count 6

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