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Home > Fluorides > 199678-30-3
199678-30-3 | Isoquinoline, 1,2,3,4-tetrahydro-7-(trifluoromethoxy)-
CAS No: 199678-30-3 Catalog No: AG002C9J MDL No:MFCD11046766
Product Description
Catalog Number:
AG002C9J
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-7-(trifluoromethoxy)-
CAS Number:
199678-30-3
Molecular Formula:
C10H10F3NO
Molecular Weight:
217.1877
MDL Number:
MFCD11046766
IUPAC Name:
7-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H10F3NO/c11-10(12,13)15-9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
InChI Key:
YPMOCMPUZNOIHK-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)CNCC2)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.191g/mol
Monoisotopic Mass:
217.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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