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1432680-62-0 | 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxymethyl]benzonitrile hydrochloride
CAS No: 1432680-62-0 Catalog No: AG01A4IR MDL No:MFCD23701890
Product Description
Catalog Number:
AG01A4IR
Chemical Name:
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxymethyl]benzonitrile hydrochloride
CAS Number:
1432680-62-0
Molecular Formula:
C19H19ClN2O
Molecular Weight:
326.8200
MDL Number:
MFCD23701890
IUPAC Name:
3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C19H18N2O.ClH/c20-13-15-2-1-3-16(12-15)14-22-19-6-4-17(5-7-19)18-8-10-21-11-9-18;/h1-8,12,21H,9-11,14H2;1H
InChI Key:
ICZODQDQJXOREP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)COc1ccc(cc1)C1=CCNCC1.Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.824g/mol
Monoisotopic Mass:
326.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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