Home Nitriles 3-(2,4-difluorophenyl)-2-hydroxypropanenitrile

3-(2,4-difluorophenyl)-2-hydroxypropanenitrile

CAS No.:
1461706-77-3
Catalog Number:
AG01A5GZ
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
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Product Description
Catalog Number:
AG01A5GZ
Chemical Name:
3-(2,4-difluorophenyl)-2-hydroxypropanenitrile
CAS Number:
1461706-77-3
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
MDL Number:
MFCD25371596
IUPAC Name:
3-(2,4-difluorophenyl)-2-hydroxypropanenitrile
InChI:
InChI=1S/C9H7F2NO/c10-7-2-1-6(9(11)4-7)3-8(13)5-12/h1-2,4,8,13H,3H2
InChI Key:
MGGLYCWZIDBUHT-UHFFFAOYSA-N
SMILES:
N#CC(Cc1ccc(cc1F)F)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.158g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties