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76099-45-1

76099-45-1 | 1H-Benzimidazole, 1-(oxiranylmethyl)-2-(2-phenyl-1,3-dioxolan-2-yl)-

CAS No: 76099-45-1 Catalog No: AG005RTW MDL No:

Product Description

Catalog Number:
AG005RTW
Chemical Name:
1H-Benzimidazole, 1-(oxiranylmethyl)-2-(2-phenyl-1,3-dioxolan-2-yl)-
CAS Number:
76099-45-1
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
IUPAC Name:
1-(oxiran-2-ylmethyl)-2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazole
InChI:
InChI=1S/C19H18N2O3/c1-2-6-14(7-3-1)19(23-10-11-24-19)18-20-16-8-4-5-9-17(16)21(18)12-15-13-22-15/h1-9,15H,10-13H2
InChI Key:
HESJQDPLCMGQPK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(OCCO1)c1nc2c(n1CC1CO1)cccc2

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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