Home Halogens 3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile

3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile

CAS No.:
267880-83-1
Catalog Number:
AG00BFDM
Molecular Formula:
C9H5ClFNO
Molecular Weight:
197.5935
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Product Description
Catalog Number:
AG00BFDM
Chemical Name:
3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile
CAS Number:
267880-83-1
Molecular Formula:
C9H5ClFNO
Molecular Weight:
197.5935
MDL Number:
MFCD09946164
IUPAC Name:
3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5ClFNO/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5H,3H2
InChI Key:
WKLDNFFONJZRBF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1F)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.593g/mol
Monoisotopic Mass:
197.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties