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Home > Fluorides > 857872-90-3
857872-90-3 | trans-2-(4-Fluoro-3-methylphenyl)cyclohexanol
CAS No: 857872-90-3 Catalog No: AG01FAI9 MDL No:
Product Description
Catalog Number:
AG01FAI9
Chemical Name:
trans-2-(4-Fluoro-3-methylphenyl)cyclohexanol
CAS Number:
857872-90-3
Molecular Formula:
C13H17FO
Molecular Weight:
208.2719
IUPAC Name:
2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
InChI:
InChI=1S/C13H17FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11,13,15H,2-5H2,1H3
InChI Key:
NGMFHSGOHAVGAM-UHFFFAOYSA-N
SMILES:
OC1CCCCC1c1ccc(c(c1)C)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.276g/mol
Monoisotopic Mass:
208.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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