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Home > Nitro Compounds > 100864-77-5
100864-77-5 | 4-Methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one
CAS No: 100864-77-5 Catalog No: AG00H9D0 MDL No:MFCD00577823
Product Description
Catalog Number:
AG00H9D0
Chemical Name:
4-Methyl-2-(4-nitrophenyl)phthalazin-1(2H)-one
CAS Number:
100864-77-5
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD00577823
IUPAC Name:
4-methyl-2-(4-nitrophenyl)phthalazin-1-one
InChI:
InChI=1S/C15H11N3O3/c1-10-13-4-2-3-5-14(13)15(19)17(16-10)11-6-8-12(9-7-11)18(20)21/h2-9H,1H3
InChI Key:
PMOPZEIANLIBOC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(C)c2c(c1=O)cccc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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