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Home > Fluorides > 860786-18-1
860786-18-1 | 4-(3-Fluorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one
CAS No: 860786-18-1 Catalog No: AG004P6J MDL No:MFCD03787603
Product Description
Catalog Number:
AG004P6J
Chemical Name:
4-(3-Fluorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one
CAS Number:
860786-18-1
Molecular Formula:
C10H10FN3O
Molecular Weight:
207.2043
MDL Number:
MFCD03787603
IUPAC Name:
4-(3-fluorophenyl)-2,5-dimethyl-1,2,4-triazol-3-one
InChI:
InChI=1S/C10H10FN3O/c1-7-12-13(2)10(15)14(7)9-5-3-4-8(11)6-9/h3-6H,1-2H3
InChI Key:
COXSGEKTFTUGHT-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1c(C)nn(c1=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.208g/mol
Monoisotopic Mass:
207.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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