Home Halogens 2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile

2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile

CAS No.:
93839-17-9
Catalog Number:
AG01AA4S
Molecular Formula:
C10H7ClFNO
Molecular Weight:
211.6201
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Product Description
Catalog Number:
AG01AA4S
Chemical Name:
2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile
CAS Number:
93839-17-9
Molecular Formula:
C10H7ClFNO
Molecular Weight:
211.6201
MDL Number:
MFCD00055280
IUPAC Name:
2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H7ClFNO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3
InChI Key:
DARQRNNQPWWWJT-UHFFFAOYSA-N
SMILES:
N#CC(c1c(F)cccc1Cl)C(=O)C
EC Number:
298-787-0
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.62g/mol
Monoisotopic Mass:
211.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties