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85841-67-4 | 1H-Pyrrole-2-carboxaldehyde, 1-(3-nitrophenyl)-
CAS No: 85841-67-4 Catalog No: AG008GFA MDL No:MFCD00453253
Product Description
Catalog Number:
AG008GFA
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-(3-nitrophenyl)-
CAS Number:
85841-67-4
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD00453253
IUPAC Name:
1-(3-nitrophenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C11H8N2O3/c14-8-11-5-2-6-12(11)9-3-1-4-10(7-9)13(15)16/h1-8H
InChI Key:
PMFWIANLJTWYNH-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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