Home Other Building Blocks 5-(difluoromethyl)-3-ethyl-1H-1,2,4-triazole

5-(difluoromethyl)-3-ethyl-1H-1,2,4-triazole

CAS No.:
1247413-25-7
Catalog Number:
AG01BGES
Molecular Formula:
C5H7F2N3
Molecular Weight:
147.1260
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Product Description
Catalog Number:
AG01BGES
Chemical Name:
5-(difluoromethyl)-3-ethyl-1H-1,2,4-triazole
CAS Number:
1247413-25-7
Molecular Formula:
C5H7F2N3
Molecular Weight:
147.1260
MDL Number:
MFCD28384083
IUPAC Name:
3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole
InChI:
InChI=1S/C5H7F2N3/c1-2-3-8-5(4(6)7)10-9-3/h4H,2H2,1H3,(H,8,9,10)
InChI Key:
KDZKTFWNROPHKX-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(n1)C(F)F
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.129g/mol
Monoisotopic Mass:
147.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties