Home Other Building Blocks 4-(difluoromethoxy)-5-fluoro-2-(1H-1,2,4-triazol-1-yl)aniline

4-(difluoromethoxy)-5-fluoro-2-(1H-1,2,4-triazol-1-yl)aniline

CAS No.:
1411217-07-6
Catalog Number:
AG01BFFB
Molecular Formula:
C9H7F3N4O
Molecular Weight:
244.1733
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Product Description
Catalog Number:
AG01BFFB
Chemical Name:
4-(difluoromethoxy)-5-fluoro-2-(1H-1,2,4-triazol-1-yl)aniline
CAS Number:
1411217-07-6
Molecular Formula:
C9H7F3N4O
Molecular Weight:
244.1733
MDL Number:
MFCD18986285
IUPAC Name:
4-(difluoromethoxy)-5-fluoro-2-(1,2,4-triazol-1-yl)aniline
InChI:
InChI=1S/C9H7F3N4O/c10-5-1-6(13)7(16-4-14-3-15-16)2-8(5)17-9(11)12/h1-4,9H,13H2
InChI Key:
QCVVBRNBBUEQTI-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(c(cc1F)N)n1cncn1)F
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.177g/mol
Monoisotopic Mass:
244.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties