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886493-93-2 | N-[2-(3-Bromo-benzoyl)-4,5-dimethoxy-phenyl]-acetamide
CAS No: 886493-93-2 Catalog No: AG01F841 MDL No:
Product Description
Catalog Number:
AG01F841
Chemical Name:
N-[2-(3-Bromo-benzoyl)-4,5-dimethoxy-phenyl]-acetamide
CAS Number:
886493-93-2
Molecular Formula:
C17H16BrNO4
Molecular Weight:
378.2172
IUPAC Name:
N-[2-(3-bromobenzoyl)-4,5-dimethoxyphenyl]acetamide
InChI:
InChI=1S/C17H16BrNO4/c1-10(20)19-14-9-16(23-3)15(22-2)8-13(14)17(21)11-5-4-6-12(18)7-11/h4-9H,1-3H3,(H,19,20)
InChI Key:
XNTDZGZRWZRAMI-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)NC(=O)C)C(=O)c1cccc(c1)Br
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.222g/mol
Monoisotopic Mass:
377.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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