Home Other Building Blocks 1-(2-fluoroethyl)-1H-1,2,4-triazole

1-(2-fluoroethyl)-1H-1,2,4-triazole

CAS No.:
265643-99-0
Catalog Number:
AG01EIAT
Molecular Formula:
C4H6FN3
Molecular Weight:
115.1089
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Product Description
Catalog Number:
AG01EIAT
Chemical Name:
1-(2-fluoroethyl)-1H-1,2,4-triazole
CAS Number:
265643-99-0
Molecular Formula:
C4H6FN3
Molecular Weight:
115.1089
MDL Number:
MFCD23972200
IUPAC Name:
1-(2-fluoroethyl)-1,2,4-triazole
InChI:
InChI=1S/C4H6FN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
InChI Key:
RQDMGGDDXVMRSF-UHFFFAOYSA-N
SMILES:
FCCn1cncn1
Properties
Complexity:
68.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.055g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.111g/mol
Monoisotopic Mass:
115.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties