Home Nitriles 1-(4-fluoro-3-hydroxyphenyl)cyclohexane-1-carbonitrile

1-(4-fluoro-3-hydroxyphenyl)cyclohexane-1-carbonitrile

CAS No.:
1881331-89-0
Catalog Number:
AG00I2OD
Molecular Formula:
C13H14FNO
Molecular Weight:
219.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$400
- +
5g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00I2OD
Chemical Name:
1-(4-fluoro-3-hydroxyphenyl)cyclohexane-1-carbonitrile
CAS Number:
1881331-89-0
Molecular Formula:
C13H14FNO
Molecular Weight:
219.2548
MDL Number:
MFCD29044644
IUPAC Name:
1-(4-fluoro-3-hydroxyphenyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H14FNO/c14-11-5-4-10(8-12(11)16)13(9-15)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2
InChI Key:
NMYAAAXJUXRHFS-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1ccc(c(c1)O)F
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.259g/mol
Monoisotopic Mass:
219.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties