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251649-40-8 | Phenol, 3-nitro-4-(1H-pyrrol-1-yl)-
CAS No: 251649-40-8 Catalog No: AG002QPM MDL No:MFCD16622793
Product Description
Catalog Number:
AG002QPM
Chemical Name:
Phenol, 3-nitro-4-(1H-pyrrol-1-yl)-
CAS Number:
251649-40-8
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD16622793
IUPAC Name:
3-nitro-4-pyrrol-1-ylphenol
InChI:
InChI=1S/C10H8N2O3/c13-8-3-4-9(10(7-8)12(14)15)11-5-1-2-6-11/h1-7,13H
InChI Key:
GGPUCGQKCDVAHA-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)[N+](=O)[O-])n1cccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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