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16778-70-4 | 1H-1,2,4-Triazole, 1-ethyl-
CAS No: 16778-70-4 Catalog No: AG001XLQ MDL No:MFCD07367971
Product Description
Catalog Number:
AG001XLQ
Chemical Name:
1H-1,2,4-Triazole, 1-ethyl-
CAS Number:
16778-70-4
Molecular Formula:
C4H7N3
Molecular Weight:
97.1185
MDL Number:
MFCD07367971
IUPAC Name:
1-ethyl-1,2,4-triazole
InChI:
InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
InChI Key:
FEOIYPLRWRCSMS-UHFFFAOYSA-N
SMILES:
CCn1cncn1
Properties
Complexity:
54.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.064g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.121g/mol
Monoisotopic Mass:
97.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Poly[bis-[μ(2)-1,4-bis-(1H-imidazol-1-yl)butane]-dichloridonickel(II)]. | Acta crystallographica. Section E, Structure reports online 20111101 |
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