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Home Other Building Blocks 4-(trifluoromethoxy)-N'-{[2-(trifluoromethyl)phenyl]methyl}benzene-1-carboximidamide hydrochloride

4-(trifluoromethoxy)-N'-{[2-(trifluoromethyl)phenyl]methyl}benzene-1-carboximidamide hydrochloride

CAS No.:
546114-56-1
Catalog Number:
AG01C1E8
Molecular Formula:
C16H13ClF6N2O
Molecular Weight:
398.7306
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Product Description
Catalog Number:
AG01C1E8
Chemical Name:
4-(trifluoromethoxy)-N'-{[2-(trifluoromethyl)phenyl]methyl}benzene-1-carboximidamide hydrochloride
CAS Number:
546114-56-1
Molecular Formula:
C16H13ClF6N2O
Molecular Weight:
398.7306
MDL Number:
MFCD29047266
IUPAC Name:
4-(trifluoromethoxy)-N'-[[2-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide;hydrochloride
InChI:
InChI=1S/C16H12F6N2O.ClH/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22;/h1-8H,9H2,(H2,23,24);1H
InChI Key:
NGZVOQXIYBOXFP-UHFFFAOYSA-N
SMILES:
NC(=NCc1ccccc1C(F)(F)F)c1ccc(cc1)OC(F)(F)F.Cl
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.062g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
398.733g/mol
Monoisotopic Mass:
398.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties