Home Nitriles 2-(3,4-Difluorophenyl)propanedinitrile

2-(3,4-Difluorophenyl)propanedinitrile

CAS No.:
1692521-86-0
Catalog Number:
AG00HZA3
Molecular Formula:
C9H4F2N2
Molecular Weight:
178.1383
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Product Description
Catalog Number:
AG00HZA3
Chemical Name:
2-(3,4-Difluorophenyl)propanedinitrile
CAS Number:
1692521-86-0
Molecular Formula:
C9H4F2N2
Molecular Weight:
178.1383
MDL Number:
MFCD28246571
IUPAC Name:
2-(3,4-difluorophenyl)propanedinitrile
InChI:
InChI=1S/C9H4F2N2/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-3,7H
InChI Key:
XDEWAVWVTZCCRD-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)F)F)C#N
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.142g/mol
Monoisotopic Mass:
178.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties