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Home > Nitro Compounds > 210364-77-5
210364-77-5 | 1H-1,2,4-Triazole, 1-[2-(4-nitrophenoxy)ethyl]-
CAS No: 210364-77-5 Catalog No: AG002KQE MDL No:MFCD01837142
Product Description
Catalog Number:
AG002KQE
Chemical Name:
1H-1,2,4-Triazole, 1-[2-(4-nitrophenoxy)ethyl]-
CAS Number:
210364-77-5
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
MDL Number:
MFCD01837142
IUPAC Name:
1-[2-(4-nitrophenoxy)ethyl]-1,2,4-triazole
InChI:
InChI=1S/C10H10N4O3/c15-14(16)9-1-3-10(4-2-9)17-6-5-13-8-11-7-12-13/h1-4,7-8H,5-6H2
InChI Key:
YOCNYONAYYIPCE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCn1ncnc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.215g/mol
Monoisotopic Mass:
234.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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