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423753-42-8 | 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
CAS No: 423753-42-8 Catalog No: AG0072IP MDL No:MFCD02212646
Product Description
Catalog Number:
AG0072IP
Chemical Name:
2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
423753-42-8
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD02212646
IUPAC Name:
2,5-dimethyl-1-(3-nitrophenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H12N2O3/c1-9-6-11(8-16)10(2)14(9)12-4-3-5-13(7-12)15(17)18/h3-8H,1-2H3
InChI Key:
VPEWMYSPADRRBT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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