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882854-37-7 | 2-Propen-1-one, 1-(2-amino-4-bromophenyl)-3-(2,6-dimethoxyphenyl)-
CAS No: 882854-37-7 Catalog No: AG0049TN MDL No:
Product Description
Catalog Number:
AG0049TN
Chemical Name:
2-Propen-1-one, 1-(2-amino-4-bromophenyl)-3-(2,6-dimethoxyphenyl)-
CAS Number:
882854-37-7
Molecular Formula:
C17H16BrNO3
Molecular Weight:
362.2178
IUPAC Name:
1-(2-amino-4-bromophenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H16BrNO3/c1-21-16-4-3-5-17(22-2)13(16)8-9-15(20)12-7-6-11(18)10-14(12)19/h3-10H,19H2,1-2H3
InChI Key:
CUMHEHZFQBMYRP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C=CC(=O)c1ccc(cc1N)Br)OC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.223g/mol
Monoisotopic Mass:
361.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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