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Home > Fluorides > 1810070-26-8
1810070-26-8 | 1H-Isoindole, 2,3-dihydro-5-(trifluoromethoxy)-, hydrochloride (1:1)
CAS No: 1810070-26-8 Catalog No: AG0022KZ MDL No:
Product Description
Catalog Number:
AG0022KZ
Chemical Name:
1H-Isoindole, 2,3-dihydro-5-(trifluoromethoxy)-, hydrochloride (1:1)
CAS Number:
1810070-26-8
Molecular Formula:
C9H9ClF3NO
Molecular Weight:
239.6221
IUPAC Name:
5-(trifluoromethoxy)-2,3-dihydro-1H-isoindole;hydrochloride
InChI:
InChI=1S/C9H8F3NO.ClH/c10-9(11,12)14-8-2-1-6-4-13-5-7(6)3-8;/h1-3,13H,4-5H2;1H
InChI Key:
RMGPTDQFDTURME-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)CNC2)(F)F.Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.622g/mol
Monoisotopic Mass:
239.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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