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102294-93-9 | Benzamide, 4-[4-[(6-bromohexyl)oxy]butyl]-N,N-diethyl-
CAS No: 102294-93-9 Catalog No: AG000755 MDL No:
Product Description
Catalog Number:
AG000755
Chemical Name:
Benzamide, 4-[4-[(6-bromohexyl)oxy]butyl]-N,N-diethyl-
CAS Number:
102294-93-9
Molecular Formula:
C21H34BrNO2
Molecular Weight:
412.4042
IUPAC Name:
4-[4-(6-bromohexoxy)butyl]-N,N-diethylbenzamide
InChI:
InChI=1S/C21H34BrNO2/c1-3-23(4-2)21(24)20-14-12-19(13-15-20)11-7-10-18-25-17-9-6-5-8-16-22/h12-15H,3-11,16-18H2,1-2H3
InChI Key:
YCFHMIUCSJLIJK-UHFFFAOYSA-N
SMILES:
BrCCCCCCOCCCCc1ccc(cc1)C(=O)N(CC)CC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.177g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.412g/mol
Monoisotopic Mass:
411.177g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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