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tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate

tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate

CAS: 1250999-79-1

Formula: C12H19BrN2O3

SMILES: CC(C)(C)OC(=O)N1CCC2(CC(Br)=NO2)CC1

IUPAC: tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate

InChI: InChI=1S/C12H19BrN2O3/c1-11(2,3)17-10(16)15-6-4-12(5-7-15)8-9(13)14-18-12/h4-8H2,1-3H3

Composition: C (45.15%), H (6.00%), Br (25.03%), N (8.78%), O (15.04%)

Molar Mass: 319.199

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 318.057905
Formal Charge 0
FSP3 0.83
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BJRAZLORYIHJQS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.59
Topological Polar Surface Area 51.13
Polarizability 27.59
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1250999-79-1 $206.39-$2,299.75$206.39$383.29$766.58$2,299.75
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