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3-[3-(imidazol-1-yl)propoxy]benzaldehyde hydrochloride

3-[3-(imidazol-1-yl)propoxy]benzaldehyde hydrochloride

CAS: 1373519-51-7

Formula: C13H15ClN2O2

SMILES: Cl[H].O=CC1=CC=CC(OCCCN2C=CN=C2)=C1

IUPAC: 3-[3-(1H-imidazol-1-yl)propoxy]benzaldehyde hydrochloride

InChI: InChI=1S/C13H14N2O2.ClH/c16-10-12-3-1-4-13(9-12)17-8-2-6-15-7-5-14-11-15;/h1,3-5,7,9-11H,2,6,8H2;1H

Composition: C (58.54%), H (5.67%), Cl (13.29%), N (10.50%), O (12.00%)

Molar Mass: 266.73

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 266.0822054
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VPSBFCMPSCEZJD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.91
Topological Polar Surface Area 44.12
Polarizability 24.75
Ring Count 2
Rotatable Bond Count 6

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