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tert-butyl 1,2,5-oxadiazepane-2-carboxylate hydrochloride

tert-butyl 1,2,5-oxadiazepane-2-carboxylate hydrochloride

CAS: 1350362-73-0

Formula: C9H19ClN2O3

SMILES: Cl.CC(C)(C)OC(=O)N1CCNCCO1

IUPAC: tert-butyl 1,2,5-oxadiazepane-2-carboxylate hydrochloride

InChI: InChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-8(12)11-6-4-10-5-7-13-11;/h10H,4-7H2,1-3H3;1H

Composition: C (45.28%), H (8.02%), Cl (14.85%), N (11.74%), O (20.11%)

Molar Mass: 238.71

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 238.1084202
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DEOLVDDKIHEITA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.79
Topological Polar Surface Area 50.8
Polarizability 20.74
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1350362-73-0 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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