Home Other Building Blocks 2-(3,5-DIFLUOROPHENYL)PROPANENITRILE

2-(3,5-DIFLUOROPHENYL)PROPANENITRILE

CAS No.:
1260783-34-3
Catalog Number:
AG01EJS1
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
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Product Description
Catalog Number:
AG01EJS1
Chemical Name:
2-(3,5-DIFLUOROPHENYL)PROPANENITRILE
CAS Number:
1260783-34-3
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
MDL Number:
MFCD11036497
IUPAC Name:
2-(3,5-difluorophenyl)propanenitrile
InChI:
InChI=1S/C9H7F2N/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2-4,6H,1H3
InChI Key:
JMDINCQEJJTRGD-UHFFFAOYSA-N
SMILES:
CC(c1cc(F)cc(c1)F)C#N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.159g/mol
Monoisotopic Mass:
167.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties