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1171517-76-2 | 2-Isopropyl-1-(3-nitrobenzyl)-1H-imidazole
CAS No: 1171517-76-2 Catalog No: AG00HDTF MDL No:MFCD12972469
Product Description
Catalog Number:
AG00HDTF
Chemical Name:
2-Isopropyl-1-(3-nitrobenzyl)-1H-imidazole
CAS Number:
1171517-76-2
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD12972469
IUPAC Name:
1-[(3-nitrophenyl)methyl]-2-propan-2-ylimidazole
InChI:
InChI=1S/C13H15N3O2/c1-10(2)13-14-6-7-15(13)9-11-4-3-5-12(8-11)16(17)18/h3-8,10H,9H2,1-2H3
InChI Key:
YIINQPXWFWYPNE-UHFFFAOYSA-N
SMILES:
CC(c1nccn1Cc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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