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Home Nitriles 4-({[(3-fluorophenyl)methyl]amino}methyl)benzonitrile hydrochloride

4-({[(3-fluorophenyl)methyl]amino}methyl)benzonitrile hydrochloride

CAS No.:
1181458-00-3
Catalog Number:
AG019VGO
Molecular Formula:
C15H14ClFN2
Molecular Weight:
276.7365
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Product Description
Catalog Number:
AG019VGO
Chemical Name:
4-({[(3-fluorophenyl)methyl]amino}methyl)benzonitrile hydrochloride
CAS Number:
1181458-00-3
Molecular Formula:
C15H14ClFN2
Molecular Weight:
276.7365
MDL Number:
MFCD12197165
IUPAC Name:
4-[[(3-fluorophenyl)methylamino]methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C15H13FN2.ClH/c16-15-3-1-2-14(8-15)11-18-10-13-6-4-12(9-17)5-7-13;/h1-8,18H,10-11H2;1H
InChI Key:
SALORYYEKCEIAS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CNCc1cccc(c1)F.Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.739g/mol
Monoisotopic Mass:
276.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties