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13230-08-5 | 4-nitro-1-propyl-1H-imidazole
CAS No: 13230-08-5 Catalog No: AG01DYNK MDL No:
Product Description
Catalog Number:
AG01DYNK
Chemical Name:
4-nitro-1-propyl-1H-imidazole
CAS Number:
13230-08-5
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
IUPAC Name:
4-nitro-1-propylimidazole
InChI:
InChI=1S/C6H9N3O2/c1-2-3-8-4-6(7-5-8)9(10)11/h4-5H,2-3H2,1H3
InChI Key:
YYYLBBHRZVIYQC-UHFFFAOYSA-N
SMILES:
CCCn1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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