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Home > Imidazoles > 13373-32-5
13373-32-5 | 2-ISOPROPYL-4(5)-NITROIMIDAZOLE
CAS No: 13373-32-5 Catalog No: AG009BDY MDL No:MFCD00082178
Product Description
Catalog Number:
AG009BDY
Chemical Name:
2-ISOPROPYL-4(5)-NITROIMIDAZOLE
CAS Number:
13373-32-5
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD00082178
IUPAC Name:
5-nitro-2-propan-2-yl-1H-imidazole
InChI:
InChI=1S/C6H9N3O2/c1-4(2)6-7-3-5(8-6)9(10)11/h3-4H,1-2H3,(H,7,8)
InChI Key:
SQZCZXRYOJJCDU-UHFFFAOYSA-N
SMILES:
CC(c1[nH]cc(n1)[N+](=O)[O-])C
EC Number:
236-450-1
Properties
Complexity:
154
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:
1
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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