Home Halogens 2-chloro-4-(1,2,4-oxadiazol-5-yl)aniline

2-chloro-4-(1,2,4-oxadiazol-5-yl)aniline

CAS No.:
1703808-94-9
Catalog Number:
AG01EIA4
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
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Product Description
Catalog Number:
AG01EIA4
Chemical Name:
2-chloro-4-(1,2,4-oxadiazol-5-yl)aniline
CAS Number:
1703808-94-9
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD31667928
IUPAC Name:
2-chloro-4-(1,2,4-oxadiazol-5-yl)aniline
InChI:
InChI=1S/C8H6ClN3O/c9-6-3-5(1-2-7(6)10)8-11-4-12-13-8/h1-4H,10H2
InChI Key:
WCYYDZNGEDCTPB-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Cl)c1ncno1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties