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Home > Imidazoles > 123320-59-2
123320-59-2 | 1H-Imidazole, 2-(1-methylethyl)-1-(4-nitrophenyl)-
CAS No: 123320-59-2 Catalog No: AG00HH8E MDL No:MFCD07021986
Product Description
Catalog Number:
AG00HH8E
Chemical Name:
1H-Imidazole, 2-(1-methylethyl)-1-(4-nitrophenyl)-
CAS Number:
123320-59-2
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD07021986
IUPAC Name:
1-(4-nitrophenyl)-2-propan-2-ylimidazole
InChI:
InChI=1S/C12H13N3O2/c1-9(2)12-13-7-8-14(12)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3
InChI Key:
HPXFONXFOUFRTP-UHFFFAOYSA-N
SMILES:
CC(c1nccn1c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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