Home Other Building Blocks 2,5-DIAMINO-3-CHLOROBENZONITRILE

2,5-DIAMINO-3-CHLOROBENZONITRILE

CAS No.:
82997-64-6
Catalog Number:
AG008KHI
Molecular Formula:
C7H6ClN3
Molecular Weight:
167.5956
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Product Description
Catalog Number:
AG008KHI
Chemical Name:
2,5-DIAMINO-3-CHLOROBENZONITRILE
CAS Number:
82997-64-6
Molecular Formula:
C7H6ClN3
Molecular Weight:
167.5956
IUPAC Name:
2,5-diamino-3-chlorobenzonitrile
InChI:
InChI=1S/C7H6ClN3/c8-6-2-5(10)1-4(3-9)7(6)11/h1-2H,10-11H2
InChI Key:
VXWZNVZGPHXSRL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1N)Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.596g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties