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3-[(tert-butoxycarbonyl)amino]cyclohex-1-en-1-ylboronic acid

3-[(tert-butoxycarbonyl)amino]cyclohex-1-en-1-ylboronic acid

CAS: 2304631-66-9

Formula: C11H20BNO4

SMILES: CC(C)(C)OC(=O)NC1CCCC(=C1)B(O)O

IUPAC: (3-{[(tert-butoxy)carbonyl]amino}cyclohex-1-en-1-yl)boronic acid

InChI: InChI=1/C11H20BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h7,9,15-16H,4-6H2,1-3H3,(H,13,14)

Composition: C (54.80%), H (8.36%), B (4.48%), N (5.81%), O (26.54%)

Molar Mass: 241.09

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 241.148538
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey FXVGRBYYBFYIRV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.23
Topological Polar Surface Area 78.79
Polarizability 25.17
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 2304631-66-9 $286.35-$2,748.50$286.35$457.70$687.70$2,748.50
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