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124856-96-8 | Acetamide, N-[2-(2-bromo-3-methoxy-1-oxo-3-phenylpropyl)phenyl]-
CAS No: 124856-96-8 Catalog No: AG000MSZ MDL No:
Product Description
Catalog Number:
AG000MSZ
Chemical Name:
Acetamide, N-[2-(2-bromo-3-methoxy-1-oxo-3-phenylpropyl)phenyl]-
CAS Number:
124856-96-8
Molecular Formula:
C18H18BrNO3
Molecular Weight:
376.2444
IUPAC Name:
N-[2-(2-bromo-3-methoxy-3-phenylpropanoyl)phenyl]acetamide
InChI:
InChI=1S/C18H18BrNO3/c1-12(21)20-15-11-7-6-10-14(15)17(22)16(19)18(23-2)13-8-4-3-5-9-13/h3-11,16,18H,1-2H3,(H,20,21)
InChI Key:
QNTQFMWPBDTINS-UHFFFAOYSA-N
SMILES:
COC(C(C(=O)c1ccccc1NC(=O)C)Br)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.25g/mol
Monoisotopic Mass:
375.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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