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132308-86-2

132308-86-2 | 2-Propen-1-one, 1-(1-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)-

CAS No: 132308-86-2 Catalog No: AG0010IA MDL No:

Product Description

Catalog Number:
AG0010IA
Chemical Name:
2-Propen-1-one, 1-(1-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)-
CAS Number:
132308-86-2
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H16N2O/c1-13-7-9-14(10-8-13)11-12-17(21)18-19-15-5-3-4-6-16(15)20(18)2/h3-12H,1-2H3
InChI Key:
IVYPMKYLUCSEFO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=CC(=O)c1nc2c(n1C)cccc2

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.8  

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