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Home > Imidazoles > 15207-93-9
15207-93-9 | 1-BENZYL-5-NITRO-1H-1,3-BENZIMIDAZOLE
CAS No: 15207-93-9 Catalog No: AG007JSB MDL No:MFCD00837324
Product Description
Catalog Number:
AG007JSB
Chemical Name:
1-BENZYL-5-NITRO-1H-1,3-BENZIMIDAZOLE
CAS Number:
15207-93-9
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD00837324
IUPAC Name:
1-benzyl-5-nitrobenzimidazole
InChI:
InChI=1S/C14H11N3O2/c18-17(19)12-6-7-14-13(8-12)15-10-16(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChI Key:
IMWRCUGAWHFPPC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2Cc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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