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89524-17-4 | 3-Buten-2-ol, 1,1,1-trifluoro-4-iodo-4-phenyl-, (E)-
CAS No: 89524-17-4 Catalog No: AG003ZSJ MDL No:
Product Description
Catalog Number:
AG003ZSJ
Chemical Name:
3-Buten-2-ol, 1,1,1-trifluoro-4-iodo-4-phenyl-, (E)-
CAS Number:
89524-17-4
Molecular Formula:
C10H8F3IO
Molecular Weight:
328.0696
IUPAC Name:
1,1,1-trifluoro-4-iodo-4-phenylbut-3-en-2-ol
InChI:
InChI=1S/C10H8F3IO/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-6,9,15H
InChI Key:
BRKYRXUWAVCDFU-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)/C=C(\c1ccccc1)/I
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.957g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.073g/mol
Monoisotopic Mass:
327.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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