Home Nitriles 2,4-Difluoro-5-formylbenzonitrile

2,4-Difluoro-5-formylbenzonitrile

CAS No.:
633327-10-3
Catalog Number:
AG00EK94
Molecular Formula:
C8H3F2NO
Molecular Weight:
167.1123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$249
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Product Description
Catalog Number:
AG00EK94
Chemical Name:
2,4-Difluoro-5-formylbenzonitrile
CAS Number:
633327-10-3
Molecular Formula:
C8H3F2NO
Molecular Weight:
167.1123
MDL Number:
MFCD19440211
IUPAC Name:
2,4-difluoro-5-formylbenzonitrile
InChI:
InChI=1S/C8H3F2NO/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2,4H
InChI Key:
GNNBDUKGSPZDHS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)c(cc1F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.018g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.115g/mol
Monoisotopic Mass:
167.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties