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1215206-76-0 | Benzenamine, 2-bromo-N-methyl-5-(trifluoromethoxy)-, hydrochloride (1:1)
CAS No: 1215206-76-0 Catalog No: AG001589 MDL No:MFCD15143545
Product Description
Catalog Number:
AG001589
Chemical Name:
Benzenamine, 2-bromo-N-methyl-5-(trifluoromethoxy)-, hydrochloride (1:1)
CAS Number:
1215206-76-0
Molecular Formula:
C8H8BrClF3NO
Molecular Weight:
306.5074
MDL Number:
MFCD15143545
IUPAC Name:
2-bromo-N-methyl-5-(trifluoromethoxy)aniline;hydrochloride
InChI:
InChI=1S/C8H7BrF3NO.ClH/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12;/h2-4,13H,1H3;1H
InChI Key:
BXTPTZKPUINLLO-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1Br)OC(F)(F)F.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.943g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.507g/mol
Monoisotopic Mass:
304.943g/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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