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1000519-40-3 | Benzenepropanol, 4-(trifluoromethoxy)-
CAS No: 1000519-40-3 Catalog No: AG0000OZ MDL No:MFCD09927393
Product Description
Catalog Number:
AG0000OZ
Chemical Name:
Benzenepropanol, 4-(trifluoromethoxy)-
CAS Number:
1000519-40-3
Molecular Formula:
C10H11F3O2
Molecular Weight:
220.1883
MDL Number:
MFCD09927393
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]propan-1-ol
InChI:
InChI=1S/C10H11F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6,14H,1-2,7H2
InChI Key:
FGGLBUFMUXDVBV-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.191g/mol
Monoisotopic Mass:
220.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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