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1992-01-4 | Benzenemethanol, 4-amino-3-methoxy-α,α-bis(trifluoromethyl)-
CAS No: 1992-01-4 Catalog No: AG002BZ3 MDL No:
Product Description
Catalog Number:
AG002BZ3
Chemical Name:
Benzenemethanol, 4-amino-3-methoxy-α,α-bis(trifluoromethyl)-
CAS Number:
1992-01-4
Molecular Formula:
C10H9F6NO2
Molecular Weight:
289.1744
IUPAC Name:
2-(4-amino-3-methoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
InChI:
InChI=1S/C10H9F6NO2/c1-19-7-4-5(2-3-6(7)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChI Key:
JNOIGSSVGODOOZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.177g/mol
Monoisotopic Mass:
289.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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