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N-(2-cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide

N-(2-cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide

CAS: 1073372-08-3

Formula: C13H15BN2O3

SMILES: O=C(NCCC#N)C1=CC=C(C=C1)B1OCCCO1

IUPAC: N-(2-cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide

InChI: InChI=1S/C13H15BN2O3/c15-7-1-8-16-13(17)11-3-5-12(6-4-11)14-18-9-2-10-19-14/h3-6H,1-2,8-10H2,(H,16,17)

Composition: C (60.50%), H (5.86%), B (4.19%), N (10.85%), O (18.60%)

Molar Mass: 258.08

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 258.117572
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PFLGLNOIHGMWPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.2
Topological Polar Surface Area 71.35
Polarizability 26.69
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1073372-08-3 $156.15-$343.15$156.15$343.15
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1073372-08-3 $246.10-$572.70$246.10$572.70
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