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13230-43-8 | 1H-Imidazole, 2-methyl-5-nitro-1-(2-propen-1-yl)-
CAS No: 13230-43-8 Catalog No: AG0010IW MDL No:MFCD28363436
Product Description
Catalog Number:
AG0010IW
Chemical Name:
1H-Imidazole, 2-methyl-5-nitro-1-(2-propen-1-yl)-
CAS Number:
13230-43-8
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD28363436
IUPAC Name:
2-methyl-5-nitro-1-prop-2-enylimidazole
InChI:
InChI=1S/C7H9N3O2/c1-3-4-9-6(2)8-5-7(9)10(11)12/h3,5H,1,4H2,2H3
InChI Key:
FRPCZQWGVIAXPC-UHFFFAOYSA-N
SMILES:
C=CCn1c(C)ncc1[N+](=O)[O-]
EC Number:
236-202-2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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