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Home Amines 1000577-48-9
1000577-48-9,MFCD09800802
Catalog No.:AA0000NZ
1000577-48-9 | 2-Amino-5-chloro-3-iodobenzonitrile
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0000NZ
Chemical Name:
2-Amino-5-chloro-3-iodobenzonitrile
CAS Number:
1000577-48-9
Molecular Formula:
C7H4ClIN2
Molecular Weight:
278.4775
MDL Number:
MFCD09800802
IUPAC Name:
2-amino-5-chloro-3-iodobenzonitrile
InChI:
InChI=1S/C7H4ClIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key:
NPZRUCKIIXISQQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1N)I
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:
277.911g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.477g/mol
Monoisotopic Mass:
277.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
2-Amino-5-chloro-3-iodobenzonitrile 
1000577-48-9 
SCHEMBL2432023 
NPZRUCKIIXISQQ-UHFFFAOYSA-N 
MFCD09800802 
ZINC15443815 
FCH1324019 
OR70215 
Benzonitrile, 2-amino-5-chloro-3-iodo- 
PS-11737 
Literature
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