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1215206-28-2 | Benzenamine, N-methyl-4-(trifluoromethoxy)-, hydrochloride (1:1)
CAS No: 1215206-28-2 Catalog No: AG001571 MDL No:MFCD09028964
Product Description
Catalog Number:
AG001571
Chemical Name:
Benzenamine, N-methyl-4-(trifluoromethoxy)-, hydrochloride (1:1)
CAS Number:
1215206-28-2
Molecular Formula:
C8H9ClF3NO
Molecular Weight:
227.6114
MDL Number:
MFCD09028964
IUPAC Name:
N-methyl-4-(trifluoromethoxy)aniline;hydrochloride
InChI:
InChI=1S/C8H8F3NO.ClH/c1-12-6-2-4-7(5-3-6)13-8(9,10)11;/h2-5,12H,1H3;1H
InChI Key:
HAQJOXNKLIBEQQ-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)OC(F)(F)F.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.611g/mol
Monoisotopic Mass:
227.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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