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Home > Nitro Compounds > 118022-32-5
118022-32-5 | 2-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxin-2-ol
CAS No: 118022-32-5 Catalog No: AG018RTM MDL No:MFCD00183021
Product Description
Catalog Number:
AG018RTM
Chemical Name:
2-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxin-2-ol
CAS Number:
118022-32-5
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD00183021
IUPAC Name:
3-(3-nitrophenyl)-2H-1,4-benzodioxin-3-ol
InChI:
InChI=1S/C14H11NO5/c16-14(10-4-3-5-11(8-10)15(17)18)9-19-12-6-1-2-7-13(12)20-14/h1-8,16H,9H2
InChI Key:
QLENPVPCJPGPLZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1(O)COc2c(O1)cccc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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