Home Other Building Blocks 2-(3,4-DIFLUOROPHENYL)PROPANENITRILE

2-(3,4-DIFLUOROPHENYL)PROPANENITRILE

CAS No.:
1096790-39-4
Catalog Number:
AG01EJRM
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
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Product Description
Catalog Number:
AG01EJRM
Chemical Name:
2-(3,4-DIFLUOROPHENYL)PROPANENITRILE
CAS Number:
1096790-39-4
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
MDL Number:
MFCD11036500
IUPAC Name:
2-(3,4-difluorophenyl)propanenitrile
InChI:
InChI=1S/C9H7F2N/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6H,1H3
InChI Key:
DGTWZZXGXGMKHA-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)F)F)C
Properties
Complexity:
196  
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