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3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine dihydrochloride

3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine dihydrochloride

CAS: 1187928-81-9

Formula: C8H11Cl2N3O2

SMILES: Cl.Cl.[O-][N+](=O)C1=CN=C2CCNCC2=C1

IUPAC: 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine dihydrochloride

InChI: InChI=1S/C8H9N3O2.2ClH/c12-11(13)7-3-6-4-9-2-1-8(6)10-5-7;;/h3,5,9H,1-2,4H2;2*1H

Composition: C (38.12%), H (4.40%), Cl (28.12%), N (16.67%), O (12.69%)

Molar Mass: 252.1

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.022832
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GDYJRIGUWAWCDK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.2
Topological Polar Surface Area 68.06
Polarizability 17.57
Ring Count 2
Rotatable Bond Count 1

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