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Home > Bromides > 1000576-46-4
1000576-46-4 | 4-Bromo-2-(2,4-dichlorophenylsulfonyl)thiazole-5-carboxylic acid diethylamide
CAS No: 1000576-46-4 Catalog No: AG01F44N MDL No:
Product Description
Catalog Number:
AG01F44N
Chemical Name:
4-Bromo-2-(2,4-dichlorophenylsulfonyl)thiazole-5-carboxylic acid diethylamide
CAS Number:
1000576-46-4
Molecular Formula:
C14H13BrCl2N2O3S2
Molecular Weight:
472.2046
IUPAC Name:
4-bromo-2-(2,4-dichlorophenyl)sulfonyl-N,N-diethyl-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C14H13BrCl2N2O3S2/c1-3-19(4-2)13(20)11-12(15)18-14(23-11)24(21,22)10-6-5-8(16)7-9(10)17/h5-7H,3-4H2,1-2H3
InChI Key:
IEHLTFAJAGNBJV-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1sc(nc1Br)S(=O)(=O)c1ccc(cc1Cl)Cl)CC
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.893g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.193g/mol
Monoisotopic Mass:
469.893g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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