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Home > Nitro Compounds > 848837-89-8
848837-89-8 | 1H-Pyrrole, 2-[1-(2-furanyl)-2-nitroethyl]-
CAS No: 848837-89-8 Catalog No: AG004W9D MDL No:
Product Description
Catalog Number:
AG004W9D
Chemical Name:
1H-Pyrrole, 2-[1-(2-furanyl)-2-nitroethyl]-
CAS Number:
848837-89-8
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
2-[1-(furan-2-yl)-2-nitroethyl]-1H-pyrrole
InChI:
InChI=1S/C10H10N2O3/c13-12(14)7-8(9-3-1-5-11-9)10-4-2-6-15-10/h1-6,8,11H,7H2
InChI Key:
UCBBBMGAQZYYOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1[nH]ccc1)c1ccco1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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