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1897-52-5

1897-52-5 | Benzonitrile, 2,6-difluoro-

CAS No: 1897-52-5 Catalog No: AG002DX7 MDL No:MFCD00001778

Product Description

Catalog Number:
AG002DX7
Chemical Name:
Benzonitrile, 2,6-difluoro-
CAS Number:
1897-52-5
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
MDL Number:
MFCD00001778
IUPAC Name:
2,6-difluorobenzonitrile
InChI:
InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key:
BNBRIFIJRKJGEI-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1F
EC Number:
217-589-7
UNII:
1J58Z42A2E

Properties

Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.105g/mol
Monoisotopic Mass:
139.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Cyanidotetra-kis-(trimethyl-phosphine)cobalt(I). Acta crystallographica. Section E, Structure reports online 20110401

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