Home Nitriles 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile

2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile

CAS No.:
890147-29-2
Catalog Number:
AG019XWG
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
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Product Description
Catalog Number:
AG019XWG
Chemical Name:
2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile
CAS Number:
890147-29-2
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
MDL Number:
MFCD13368230
IUPAC Name:
2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile
InChI:
InChI=1S/C10H10FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2
InChI Key:
KWFISRFRHISQEV-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccc(cc1)F)C#N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.194g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties