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94212-36-9 | 1-(2-methoxyphenyl)-2-methyl-1h-naphtho[2,3-d]imidazole-4,9-dione
CAS No: 94212-36-9 Catalog No: AG005SJX MDL No:
Product Description
Catalog Number:
AG005SJX
Chemical Name:
1-(2-methoxyphenyl)-2-methyl-1h-naphtho[2,3-d]imidazole-4,9-dione
CAS Number:
94212-36-9
Molecular Formula:
C19H14N2O3
Molecular Weight:
318.3261
IUPAC Name:
3-(2-methoxyphenyl)-2-methylbenzo[f]benzimidazole-4,9-dione
InChI:
InChI=1S/C19H14N2O3/c1-11-20-16-17(21(11)14-9-5-6-10-15(14)24-2)19(23)13-8-4-3-7-12(13)18(16)22/h3-10H,1-2H3
InChI Key:
WCWPFQGHHAPPIQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1c(C)nc2c1C(=O)c1ccccc1C2=O
NSC Number:
141318
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.332g/mol
Monoisotopic Mass:
318.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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