Home Other Building Blocks 3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline

3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline

CAS No.:
1155522-11-4
Catalog Number:
AG01BGN6
Molecular Formula:
C9H7F2N3O
Molecular Weight:
211.1682
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Product Description
Catalog Number:
AG01BGN6
Chemical Name:
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline
CAS Number:
1155522-11-4
Molecular Formula:
C9H7F2N3O
Molecular Weight:
211.1682
MDL Number:
MFCD12191351
IUPAC Name:
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline
InChI:
InChI=1S/C9H7F2N3O/c10-7(11)9-13-8(14-15-9)5-2-1-3-6(12)4-5/h1-4,7H,12H2
InChI Key:
LQEGRVSPFYNYAU-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1noc(n1)C(F)F
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.172g/mol
Monoisotopic Mass:
211.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties