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88696-14-4 | Methanone, (4-bromophenyl)(5-propoxy-1H-benzimidazol-2-yl)-
CAS No: 88696-14-4 Catalog No: AG0047MZ MDL No:
Product Description
Catalog Number:
AG0047MZ
Chemical Name:
Methanone, (4-bromophenyl)(5-propoxy-1H-benzimidazol-2-yl)-
CAS Number:
88696-14-4
Molecular Formula:
C17H15BrN2O2
Molecular Weight:
359.2172
IUPAC Name:
(4-bromophenyl)-(6-propoxy-1H-benzimidazol-2-yl)methanone
InChI:
InChI=1S/C17H15BrN2O2/c1-2-9-22-13-7-8-14-15(10-13)20-17(19-14)16(21)11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChI Key:
IRVLEZNNEVGAML-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)nc([nH]2)C(=O)c1ccc(cc1)Br
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.223g/mol
Monoisotopic Mass:
358.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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