Home Other Building Blocks 2-(2-phenoxyethyl)-1H-1,3-benzodiazole

2-(2-phenoxyethyl)-1H-1,3-benzodiazole

CAS No.:
82326-45-2
Catalog Number:
AG019TQU
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
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Product Description
Catalog Number:
AG019TQU
Chemical Name:
2-(2-phenoxyethyl)-1H-1,3-benzodiazole
CAS Number:
82326-45-2
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
MDL Number:
MFCD11546894
IUPAC Name:
2-(2-phenoxyethyl)-1H-benzimidazole
InChI:
InChI=1S/C15H14N2O/c1-2-6-12(7-3-1)18-11-10-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChI Key:
VTHPJRVHNSHKNZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCCc1nc2c([nH]1)cccc2
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties