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70132-48-8 | 1H-Imidazole-1-ethanol, 2-nitro-alpha-(1-pyrrolidineylmethyl)-
CAS No: 70132-48-8 Catalog No: AG005XJV MDL No:
Product Description
Catalog Number:
AG005XJV
Chemical Name:
1H-Imidazole-1-ethanol, 2-nitro-alpha-(1-pyrrolidineylmethyl)-
CAS Number:
70132-48-8
Molecular Formula:
C10H16N4O3
Molecular Weight:
240.2590
IUPAC Name:
1-(2-nitroimidazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
InChI:
InChI=1S/C10H16N4O3/c15-9(7-12-4-1-2-5-12)8-13-6-3-11-10(13)14(16)17/h3,6,9,15H,1-2,4-5,7-8H2
InChI Key:
FFGNPCAKZFFFOS-UHFFFAOYSA-N
SMILES:
OC(Cn1ccnc1[N+](=O)[O-])CN1CCCC1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.263g/mol
Monoisotopic Mass:
240.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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