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Home > Imidazoles > 189953-66-0
189953-66-0 | 1H-Benzimidazole, 1-(methoxymethyl)-2-(4-methoxyphenyl)-5-nitro-
CAS No: 189953-66-0 Catalog No: AG002E6H MDL No:
Product Description
Catalog Number:
AG002E6H
Chemical Name:
1H-Benzimidazole, 1-(methoxymethyl)-2-(4-methoxyphenyl)-5-nitro-
CAS Number:
189953-66-0
Molecular Formula:
C16H15N3O4
Molecular Weight:
313.3080
IUPAC Name:
1-(methoxymethyl)-2-(4-methoxyphenyl)-5-nitrobenzimidazole
InChI:
InChI=1S/C16H15N3O4/c1-22-10-18-15-8-5-12(19(20)21)9-14(15)17-16(18)11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3
InChI Key:
IGLNNTHJQJWVTE-UHFFFAOYSA-N
SMILES:
COCn1c(nc2c1ccc(c2)[N+](=O)[O-])c1ccc(cc1)OC
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.313g/mol
Monoisotopic Mass:
313.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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