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88257-89-0 | 1,5-Hexadien-3-ol, 4,4-difluoro-1-phenyl-
CAS No: 88257-89-0 Catalog No: AG004ABZ MDL No:
Product Description
Catalog Number:
AG004ABZ
Chemical Name:
1,5-Hexadien-3-ol, 4,4-difluoro-1-phenyl-
CAS Number:
88257-89-0
Molecular Formula:
C12H12F2O
Molecular Weight:
210.2199
IUPAC Name:
4,4-difluoro-1-phenylhexa-1,5-dien-3-ol
InChI:
InChI=1S/C12H12F2O/c1-2-12(13,14)11(15)9-8-10-6-4-3-5-7-10/h2-9,11,15H,1H2
InChI Key:
TXWWMOAPDGXAHV-UHFFFAOYSA-N
SMILES:
C=CC(C(C=Cc1ccccc1)O)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.224g/mol
Monoisotopic Mass:
210.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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