Home Amines 1000577-64-9
1000577-64-9,MFCD09800807
Catalog No.:AA0000P2
1000577-64-9 | Benzonitrile, 6-amino-3-chloro-2-fluoro-
Pack Size
Purity
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250mg
90%
1 week  
$148.00
- +
1g
90%
1 week  
$255.00
- +
5g
90%
1 week  
$454.00
- +
25g
90%
1 week  
$1,579.00
- +
100g
90%
1 week  
$4,204.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000P2
Chemical Name:
Benzonitrile, 6-amino-3-chloro-2-fluoro-
CAS Number:
1000577-64-9
Molecular Formula:
C7H4ClFN2
Molecular Weight:
170.5715
MDL Number:
MFCD09800807
IUPAC Name:
6-amino-3-chloro-2-fluorobenzonitrile
InChI:
InChI=1S/C7H4ClFN2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2
InChI Key:
IWKYFJYZLOWWKJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)ccc(c1F)Cl
Properties
Computed Properties
 
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.005g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.571g/mol
Monoisotopic Mass:
170.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
6-Amino-3-chloro-2-fluorobenzonitrile 
1000577-64-9 
AKOS006326731 
FS-5512 
AJ-67517 
AK-77156 
Benzonitrile, 6-amino-3-chloro-2-fluoro- 
AX8223505 
TC-160393 
C7H4ClFN2 
2-Amino-5-chloro-6-fluorobenzonitrile 
SCHEMBL12968329 
CTK8C4357 
DTXSID80650224 
0071AA 
ANW-71648 
FCH870435 
ZINC15443827 
Literature
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