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56643-86-8 | 2-METHYL-1-(4-NITROBENZYL)-1H-IMIDAZOLE
CAS No: 56643-86-8 Catalog No: AG00ED93 MDL No:MFCD02615309
Product Description
Catalog Number:
AG00ED93
Chemical Name:
2-METHYL-1-(4-NITROBENZYL)-1H-IMIDAZOLE
CAS Number:
56643-86-8
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD02615309
IUPAC Name:
2-methyl-1-[(4-nitrophenyl)methyl]imidazole
InChI:
InChI=1S/C11H11N3O2/c1-9-12-6-7-13(9)8-10-2-4-11(5-3-10)14(15)16/h2-7H,8H2,1H3
InChI Key:
KBZYPLFJZZWFAW-UHFFFAOYSA-N
SMILES:
Cc1nccn1Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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