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tert-butyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

CAS: 1184950-48-8

Formula: C13H17BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(Br)C=N2

IUPAC: tert-butyl 3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

InChI: InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-5-4-11-9(8-16)6-10(14)7-15-11/h6-7H,4-5,8H2,1-3H3

Composition: C (49.85%), H (5.47%), Br (25.51%), N (8.94%), O (10.22%)

Molar Mass: 313.195

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 312.047341
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BWCWLVFPHPFTEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.5
Topological Polar Surface Area 42.43
Polarizability 28.17
Ring Count 2
Rotatable Bond Count 2

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97% <7 Days 1184950-48-8 $243.10-$3,085.50$243.10$303.88$466.57$667.59$1,876.55$3,085.50
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