7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

CAS: 99365-69-2

Formula: C9H11ClN2O2

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

IUPAC: 7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

InChI: InChI=1S/C9H10N2O2.ClH/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10H,3-4,6H2;1H

Composition: C (50.36%), H (5.17%), Cl (16.52%), N (13.05%), O (14.91%)

Molar Mass: 214.65

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.0509053
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KGIXLJRTYZOUCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.94
Topological Polar Surface Area	55.17
Polarizability	18.43
Ring Count	2
Rotatable Bond Count	1

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