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801318-20-7 | 4-(3,4,5-Trifluorophenyl)-1-buten-4-ol
CAS No: 801318-20-7 Catalog No: AG01EXGX MDL No:
Product Description
Catalog Number:
AG01EXGX
Chemical Name:
4-(3,4,5-Trifluorophenyl)-1-buten-4-ol
CAS Number:
801318-20-7
Molecular Formula:
C10H9F3O
Molecular Weight:
202.1731
IUPAC Name:
1-(3,4,5-trifluorophenyl)but-3-en-1-ol
InChI:
InChI=1S/C10H9F3O/c1-2-3-9(14)6-4-7(11)10(13)8(12)5-6/h2,4-5,9,14H,1,3H2
InChI Key:
UHCJGPSJZSWUJM-UHFFFAOYSA-N
SMILES:
C=CCC(c1cc(F)c(c(c1)F)F)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.176g/mol
Monoisotopic Mass:
202.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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