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127979-76-4

127979-76-4 | Benzenecarboximidamide, 2-(trifluoromethoxy)-, hydrochloride (1:1)

CAS No: 127979-76-4 Catalog No: AG000XMJ MDL No:MFCD00173664

Product Description

Catalog Number:
AG000XMJ
Chemical Name:
Benzenecarboximidamide, 2-(trifluoromethoxy)-, hydrochloride (1:1)
CAS Number:
127979-76-4
Molecular Formula:
C8H8ClF3N2O
Molecular Weight:
240.6101
MDL Number:
MFCD00173664
IUPAC Name:
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
InChI:
InChI=1S/C8H7F3N2O.ClH/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H
InChI Key:
RTWUEKKBEVKNHU-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccccc1OC(F)(F)F.Cl

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
240.61g/mol
Monoisotopic Mass:
240.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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