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Home > Aldehydes > 1198424-70-2
1198424-70-2 | Benzaldehyde, 2,5-dinitro-
CAS No: 1198424-70-2 Catalog No: AG000PRT MDL No:MFCD22493381
Product Description
Catalog Number:
AG000PRT
Chemical Name:
Benzaldehyde, 2,5-dinitro-
CAS Number:
1198424-70-2
Molecular Formula:
C7H4N2O5
Molecular Weight:
196.1171
MDL Number:
MFCD22493381
IUPAC Name:
2,5-dinitrobenzaldehyde
InChI:
InChI=1S/C7H4N2O5/c10-4-5-3-6(8(11)12)1-2-7(5)9(13)14/h1-4H
InChI Key:
MCQDLKFHFLTMAM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.118g/mol
Monoisotopic Mass:
196.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Fluorescent silicate materials for the detection of paraoxon. | Sensors (Basel, Switzerland) 20100101 |
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