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2060027-15-6 | 1-methyl-3-(3-nitrophenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 2060027-15-6 Catalog No: AG01BPA3 MDL No:MFCD30500007
Product Description
Catalog Number:
AG01BPA3
Chemical Name:
1-methyl-3-(3-nitrophenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2060027-15-6
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD30500007
IUPAC Name:
1-methyl-3-(3-nitrophenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H10N2O3/c1-13-6-5-11(12(13)8-15)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3
InChI Key:
JZWIMYNANKFKCI-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ccc1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
303
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:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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