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1588441-12-6 | Benzenamine, 4-(trifluoromethoxy)-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1588441-12-6 Catalog No: AG001QXU MDL No:MFCD27923427
Product Description
Catalog Number:
AG001QXU
Chemical Name:
Benzenamine, 4-(trifluoromethoxy)-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1588441-12-6
Molecular Formula:
C8H6ClF6NO
Molecular Weight:
281.5828
MDL Number:
MFCD27923427
IUPAC Name:
4-(trifluoromethoxy)-2-(trifluoromethyl)aniline;hydrochloride
InChI:
InChI=1S/C8H5F6NO.ClH/c9-7(10,11)5-3-4(1-2-6(5)15)16-8(12,13)14;/h1-3H,15H2;1H
InChI Key:
OOYFYPCKMNFFTA-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C(F)(F)F)OC(F)(F)F.Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.582g/mol
Monoisotopic Mass:
281.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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