Home Other Building Blocks 3-Chloro-4-fluorobenzoyl cyanide

3-Chloro-4-fluorobenzoyl cyanide

CAS No.:
80277-45-8
Catalog Number:
AG008N30
Molecular Formula:
C8H3ClFNO
Molecular Weight:
183.5669
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Product Description
Catalog Number:
AG008N30
Chemical Name:
3-Chloro-4-fluorobenzoyl cyanide
CAS Number:
80277-45-8
Molecular Formula:
C8H3ClFNO
Molecular Weight:
183.5669
MDL Number:
MFCD04972720
IUPAC Name:
3-chloro-4-fluorobenzoyl cyanide
InChI:
InChI=1S/C8H3ClFNO/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3H
InChI Key:
BGSVXOFUWAZGGW-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccc(c(c1)Cl)F
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.989g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.566g/mol
Monoisotopic Mass:
182.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties