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88462-74-2 | 3-Buten-2-ol, 4-iodo-1-[3-(trifluoromethyl)phenoxy]-, (E)-
CAS No: 88462-74-2 Catalog No: AG004CN8 MDL No:
Product Description
Catalog Number:
AG004CN8
Chemical Name:
3-Buten-2-ol, 4-iodo-1-[3-(trifluoromethyl)phenoxy]-, (E)-
CAS Number:
88462-74-2
Molecular Formula:
C11H10F3IO2
Molecular Weight:
358.0956
IUPAC Name:
4-iodo-1-[3-(trifluoromethyl)phenoxy]but-3-en-2-ol
InChI:
InChI=1S/C11H10F3IO2/c12-11(13,14)8-2-1-3-10(6-8)17-7-9(16)4-5-15/h1-6,9,16H,7H2
InChI Key:
PNPBENBRIXNWAB-UHFFFAOYSA-N
SMILES:
I/C=C/C(COc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.968g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.099g/mol
Monoisotopic Mass:
357.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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