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Home > Bromides > 1373132-53-6
1373132-53-6 | 5-Benzofurancarboxamide, 3,7-dibromo-6-hydroxy-4-methoxy-N-phenyl-
CAS No: 1373132-53-6 Catalog No: AG001331 MDL No:
Product Description
Catalog Number:
AG001331
Chemical Name:
5-Benzofurancarboxamide, 3,7-dibromo-6-hydroxy-4-methoxy-N-phenyl-
CAS Number:
1373132-53-6
Molecular Formula:
C16H11Br2NO4
Molecular Weight:
441.0708
IUPAC Name:
3,7-dibromo-6-hydroxy-4-methoxy-N-phenyl-1-benzofuran-5-carboxamide
InChI:
InChI=1S/C16H11Br2NO4/c1-22-14-10-9(17)7-23-15(10)12(18)13(20)11(14)16(21)19-8-5-3-2-4-6-8/h2-7,20H,1H3,(H,19,21)
InChI Key:
CUJPGKJTOPWJBR-UHFFFAOYSA-N
SMILES:
COc1c(C(=O)Nc2ccccc2)c(O)c(c2c1c(Br)co2)Br
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.903g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.075g/mol
Monoisotopic Mass:
438.905g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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