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173862-91-4 | 1H-1,2,4-Triazole, 1-undecyl-
CAS No: 173862-91-4 Catalog No: AG001Z8Y MDL No:
Product Description
Catalog Number:
AG001Z8Y
Chemical Name:
1H-1,2,4-Triazole, 1-undecyl-
CAS Number:
173862-91-4
Molecular Formula:
C13H25N3
Molecular Weight:
223.3577
IUPAC Name:
1-undecyl-1,2,4-triazole
InChI:
InChI=1S/C13H25N3/c1-2-3-4-5-6-7-8-9-10-11-16-13-14-12-15-16/h12-13H,2-11H2,1H3
InChI Key:
CGLNKUCULXLCDK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCn1ncnc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.205g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.364g/mol
Monoisotopic Mass:
223.205g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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