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3-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}benzaldehyde hydrochloride

3-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}benzaldehyde hydrochloride

CAS: 1185302-57-1

Formula: C12H14ClN3O2

SMILES: Cl.CN(C)CC1=NC(=NO1)C1=CC=CC(C=O)=C1

IUPAC: 3-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}benzaldehyde hydrochloride

InChI: InChI=1S/C12H13N3O2.ClH/c1-15(2)7-11-13-12(14-17-11)10-5-3-4-9(6-10)8-16;/h3-6,8H,7H2,1-2H3;1H

Composition: C (53.84%), H (5.27%), Cl (13.24%), N (15.70%), O (11.95%)

Molar Mass: 267.71

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 267.0774544
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UQVGLFRJMOFWRM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.54
Topological Polar Surface Area 59.23
Polarizability 24.66
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 1185302-57-1 $336.89$336.89
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