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Home Nitriles 3-(3-(4-Fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl)propanenitrile

3-(3-(4-Fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl)propanenitrile

CAS No.:
379223-82-2
Catalog Number:
AG00C633
Molecular Formula:
C13H12FN3O
Molecular Weight:
245.2523
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG00C633
Chemical Name:
3-(3-(4-Fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl)propanenitrile
CAS Number:
379223-82-2
Molecular Formula:
C13H12FN3O
Molecular Weight:
245.2523
MDL Number:
MFCD02633798
IUPAC Name:
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]propanenitrile
InChI:
InChI=1S/C13H12FN3O/c14-12-4-2-10(3-5-12)13-11(9-18)8-17(16-13)7-1-6-15/h2-5,8,18H,1,7,9H2
InChI Key:
MTXROQZDWLEVOD-UHFFFAOYSA-N
SMILES:
N#CCCn1cc(c(n1)c1ccc(cc1)F)CO
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.096g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.257g/mol
Monoisotopic Mass:
245.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties