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87948-07-0 | 1H-Pyrrole-2-carboxaldehyde, 1-[methyl(2-nitrophenyl)amino]-
CAS No: 87948-07-0 Catalog No: AG008BYQ MDL No:
Product Description
Catalog Number:
AG008BYQ
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-[methyl(2-nitrophenyl)amino]-
CAS Number:
87948-07-0
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
1-(N-methyl-2-nitroanilino)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H11N3O3/c1-13(14-8-4-5-10(14)9-16)11-6-2-3-7-12(11)15(17)18/h2-9H,1H3
InChI Key:
XSODSVNPCJIFRJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1N(c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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