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Home > Nitro Compounds > 805-74-3
805-74-3 | [4-(2,4-dinitro-phenoxy)-phenyl]-phenyl-methanone
CAS No: 805-74-3 Catalog No: AG00592Z MDL No:
Product Description
Catalog Number:
AG00592Z
Chemical Name:
[4-(2,4-dinitro-phenoxy)-phenyl]-phenyl-methanone
CAS Number:
805-74-3
Molecular Formula:
C19H12N2O6
Molecular Weight:
364.3084
IUPAC Name:
[4-(2,4-dinitrophenoxy)phenyl]-phenylmethanone
InChI:
InChI=1S/C19H12N2O6/c22-19(13-4-2-1-3-5-13)14-6-9-16(10-7-14)27-18-11-8-15(20(23)24)12-17(18)21(25)26/h1-12H
InChI Key:
VARRMPLWXUVENV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)C(=O)c1ccccc1)[N+](=O)[O-]
NSC Number:
52583
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.07g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.313g/mol
Monoisotopic Mass:
364.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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