4-nitro-2,3-dihydro-1H-isoindole hydrochloride

4-nitro-2,3-dihydro-1H-isoindole hydrochloride

CAS: 1159826-78-4

Formula: C8H9ClN2O2

SMILES: Cl.[O-][N+](=O)C1=CC=CC2=C1CNC2

IUPAC: 4-nitro-2,3-dihydro-1H-isoindole hydrochloride

InChI: InChI=1S/C8H8N2O2.ClH/c11-10(12)8-3-1-2-6-4-9-5-7(6)8;/h1-3,9H,4-5H2;1H

Composition: C (47.90%), H (4.52%), Cl (17.67%), N (13.96%), O (15.95%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0352552
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QQCXKKIPWXYQDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.18
Topological Polar Surface Area	55.17
Polarizability	16.67
Ring Count	2
Rotatable Bond Count	1

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