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Home > Nitro Compounds > 59194-25-1
59194-25-1 | 1H-Pyrrole, 1-(4-methoxy-2-nitrophenyl)-
CAS No: 59194-25-1 Catalog No: AG00IAIT MDL No:MFCD03305765
Product Description
Catalog Number:
AG00IAIT
Chemical Name:
1H-Pyrrole, 1-(4-methoxy-2-nitrophenyl)-
CAS Number:
59194-25-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD03305765
IUPAC Name:
1-(4-methoxy-2-nitrophenyl)pyrrole
InChI:
InChI=1S/C11H10N2O3/c1-16-9-4-5-10(11(8-9)13(14)15)12-6-2-3-7-12/h2-8H,1H3
InChI Key:
KMZGPJSPPSTZKT-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])n1cccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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