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Home > Nitro Compounds > 137025-12-8
137025-12-8 | Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl-
CAS No: 137025-12-8 Catalog No: AG0012Q4 MDL No:
Product Description
Catalog Number:
AG0012Q4
Chemical Name:
Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl-
CAS Number:
137025-12-8
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
IUPAC Name:
(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone
InChI:
InChI=1S/C11H8N2O3/c14-11(9-5-6-12-7-9)8-1-3-10(4-2-8)13(15)16/h1-7,12H
InChI Key:
GPAQJHPQBICXGP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)c1c[nH]cc1
Properties
Complexity:
279
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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