Home Nitriles 2-(2,5-difluorophenyl)-2-hydroxyacetonitrile

2-(2,5-difluorophenyl)-2-hydroxyacetonitrile

CAS No.:
1155082-23-7
Catalog Number:
AG01AA8Z
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
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Product Description
Catalog Number:
AG01AA8Z
Chemical Name:
2-(2,5-difluorophenyl)-2-hydroxyacetonitrile
CAS Number:
1155082-23-7
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD12169396
IUPAC Name:
2-(2,5-difluorophenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C8H5F2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H
InChI Key:
TYDCXXJFXNZRRL-UHFFFAOYSA-N
SMILES:
OC(c1cc(F)ccc1F)C#N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties