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88580-73-8 | 1H-Benzimidazole, 5,6-dimethoxy-2-phenyl-
CAS No: 88580-73-8 Catalog No: AG004BR5 MDL No:
Product Description
Catalog Number:
AG004BR5
Chemical Name:
1H-Benzimidazole, 5,6-dimethoxy-2-phenyl-
CAS Number:
88580-73-8
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
5,6-dimethoxy-2-phenyl-1H-benzimidazole
InChI:
InChI=1S/C15H14N2O2/c1-18-13-8-11-12(9-14(13)19-2)17-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChI Key:
JQBTZHSVLLCHHV-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(nc2cc1OC)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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