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857872-81-2

857872-81-2 | trans-2-(3-Fluoro-4-methylphenyl)cyclohexanol

CAS No: 857872-81-2 Catalog No: AG01FAI8 MDL No:

Product Description

Catalog Number:
AG01FAI8
Chemical Name:
trans-2-(3-Fluoro-4-methylphenyl)cyclohexanol
CAS Number:
857872-81-2
Molecular Formula:
C13H17FO
Molecular Weight:
208.2719
IUPAC Name:
2-(3-fluoro-4-methylphenyl)cyclohexan-1-ol
InChI:
InChI=1S/C13H17FO/c1-9-6-7-10(8-12(9)14)11-4-2-3-5-13(11)15/h6-8,11,13,15H,2-5H2,1H3
InChI Key:
RFQUHYMYBBOESC-UHFFFAOYSA-N
SMILES:
OC1CCCCC1c1ccc(c(c1)F)C

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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