5-methoxy-2,3-dihydro-1H-isoindole hydrochloride

5-methoxy-2,3-dihydro-1H-isoindole hydrochloride

CAS: 1159822-61-3

Formula: C9H12ClNO

SMILES: Cl.COC1=CC=C2CNCC2=C1

IUPAC: 5-methoxy-2,3-dihydro-1H-isoindole hydrochloride

InChI: InChI=1S/C9H11NO.ClH/c1-11-9-3-2-7-5-10-6-8(7)4-9;/h2-4,10H,5-6H2,1H3;1H

Composition: C (58.23%), H (6.52%), Cl (19.09%), N (7.54%), O (8.62%)

Molar Mass: 185.65

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0607417
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KXUMTVFTWNZMDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.32
Topological Polar Surface Area	21.26
Polarizability	17.32
Ring Count	2
Rotatable Bond Count	1

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