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128171-57-3 | 2H-1-Benzopyran-3-carboxamide, 6-bromo-N-(2,5-dichlorophenyl)-2-oxo-
CAS No: 128171-57-3 Catalog No: AG000XUK MDL No:
Product Description
Catalog Number:
AG000XUK
Chemical Name:
2H-1-Benzopyran-3-carboxamide, 6-bromo-N-(2,5-dichlorophenyl)-2-oxo-
CAS Number:
128171-57-3
Molecular Formula:
C16H8BrCl2NO3
Molecular Weight:
413.0496
IUPAC Name:
6-bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
InChI:
InChI=1S/C16H8BrCl2NO3/c17-9-1-4-14-8(5-9)6-11(16(22)23-14)15(21)20-13-7-10(18)2-3-12(13)19/h1-7H,(H,20,21)
InChI Key:
RNVWRDUQXNCMBP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)NC(=O)c1cc2cc(Br)ccc2oc1=O)Cl
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.906g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.048g/mol
Monoisotopic Mass:
410.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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