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51652-59-6 | 1H-Benzimidazole, 2-[(2,4-dimethoxyphenyl)azo]-1-methyl-
CAS No: 51652-59-6 Catalog No: AG006UF0 MDL No:
Product Description
Catalog Number:
AG006UF0
Chemical Name:
1H-Benzimidazole, 2-[(2,4-dimethoxyphenyl)azo]-1-methyl-
CAS Number:
51652-59-6
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
IUPAC Name:
(2,4-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)diazene
InChI:
InChI=1S/C16H16N4O2/c1-20-14-7-5-4-6-12(14)17-16(20)19-18-13-9-8-11(21-2)10-15(13)22-3/h4-10H,1-3H3
InChI Key:
SNPWEWWMWOEGSW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)N=Nc1nc2c(n1C)cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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