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2944-97-0 | Benzenemethanamine, 2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 2944-97-0 Catalog No: AG002YDS MDL No:
Product Description
Catalog Number:
AG002YDS
Chemical Name:
Benzenemethanamine, 2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
2944-97-0
Molecular Formula:
C8H9ClF3N
Molecular Weight:
211.6120
IUPAC Name:
[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C8H8F3N.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-12;/h1-4H,5,12H2;1H
InChI Key:
SEXMWHJHMPWMBZ-UHFFFAOYSA-N
SMILES:
NCc1ccccc1C(F)(F)F.Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.612g/mol
Monoisotopic Mass:
211.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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