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tert-butyl 3-bromo-2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

tert-butyl 3-bromo-2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

CAS: 2306268-82-4

Formula: C13H16BrClN2O2

SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(Cl)C(Br)=C2

IUPAC: tert-butyl 3-bromo-2-chloro-5,6,7,8-tetrahydro-1,7-naphthyridine-7-carboxylate

InChI: InChI=1S/C13H16BrClN2O2/c1-13(2,3)19-12(18)17-5-4-8-6-9(14)11(15)16-10(8)7-17/h6H,4-5,7H2,1-3H3

Composition: C (44.92%), H (4.64%), Br (22.98%), Cl (10.20%), N (8.06%), O (9.20%)

Molar Mass: 347.64

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 346.008368
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QYWPRYVWBFTMSA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.42
Topological Polar Surface Area 42.43
Polarizability 30.21
Ring Count 2
Rotatable Bond Count 2

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