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2860-83-5 | 1H-Pyrrole-1-ethanol, 2,4-dinitro-
CAS No: 2860-83-5 Catalog No: AG002VUL MDL No:
Product Description
Catalog Number:
AG002VUL
Chemical Name:
1H-Pyrrole-1-ethanol, 2,4-dinitro-
CAS Number:
2860-83-5
Molecular Formula:
C6H7N3O5
Molecular Weight:
201.1369
IUPAC Name:
2-(2,4-dinitropyrrol-1-yl)ethanol
InChI:
InChI=1S/C6H7N3O5/c10-2-1-7-4-5(8(11)12)3-6(7)9(13)14/h3-4,10H,1-2H2
InChI Key:
JLCWEDLGHASLGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cn1CCO)[N+](=O)[O-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.138g/mol
Monoisotopic Mass:
201.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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