Home Nitriles 4-(cyanomethyl)-3,5-difluorobenzonitrile

4-(cyanomethyl)-3,5-difluorobenzonitrile

CAS No.:
1805669-29-7
Catalog Number:
AG01DIXK
Molecular Formula:
C9H4F2N2
Molecular Weight:
178.1383
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Product Description
Catalog Number:
AG01DIXK
Chemical Name:
4-(cyanomethyl)-3,5-difluorobenzonitrile
CAS Number:
1805669-29-7
Molecular Formula:
C9H4F2N2
Molecular Weight:
178.1383
MDL Number:
MFCD28765106
IUPAC Name:
4-(cyanomethyl)-3,5-difluorobenzonitrile
InChI:
InChI=1S/C9H4F2N2/c10-8-3-6(5-13)4-9(11)7(8)1-2-12/h3-4H,1H2
InChI Key:
BHZDFIHGPACJJC-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)cc(cc1F)C#N
Properties
Complexity:
260  
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:
1.5  
Properties