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Home > Aldehydes > 128843-59-4
128843-59-4 | 1-METHYL-4-(4-NITROBENZOYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 128843-59-4 Catalog No: AG009DPQ MDL No:MFCD00172169
Product Description
Catalog Number:
AG009DPQ
Chemical Name:
1-METHYL-4-(4-NITROBENZOYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
128843-59-4
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD00172169
IUPAC Name:
1-methyl-4-(4-nitrobenzoyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H10N2O4/c1-14-7-10(6-12(14)8-16)13(17)9-2-4-11(5-3-9)15(18)19/h2-8H,1H3
InChI Key:
NXKMAVMESJKNLK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cn1C)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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