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22162-51-2 | 1-(2-Nitrobenzyl)-1H-pyrrole-2-carbaldehyde
CAS No: 22162-51-2 Catalog No: AG007PAQ MDL No:MFCD00792865
Product Description
Catalog Number:
AG007PAQ
Chemical Name:
1-(2-Nitrobenzyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
22162-51-2
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD00792865
IUPAC Name:
1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H10N2O3/c15-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)14(16)17/h1-7,9H,8H2
InChI Key:
AKFAPUIPEQSHJL-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| 1-(2-Nitro-benz-yl)-1H-pyrrole-2-carbaldehyde. | Acta crystallographica. Section E, Structure reports online 20110601 |
| 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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