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methyl 3-(4-bromo-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-8-carboxylate

methyl 3-(4-bromo-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 2007909-42-2

Formula: C12H15BrN2O2S

SMILES: COC(=O)C1C2CCC1CN(C2)C1=NC(Br)=CS1

IUPAC: methyl 3-(4-bromo-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1/C12H15BrN2O2S/c1-17-11(16)10-7-2-3-8(10)5-15(4-7)12-14-9(13)6-18-12/h6-8,10H,2-5H2,1H3

Composition: C (43.51%), H (4.56%), Br (24.12%), N (8.46%), O (9.66%), S (9.68%)

Molar Mass: 331.23

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 330.003762
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RVORUMJDEQLUNO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.93
Topological Polar Surface Area 42.43
Polarizability 28.17
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2007909-42-2 $134.93-$852.44$134.93$214.37$325.34$852.44
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